data_2eo3_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 2eo3 _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 ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.776 0.322 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -134.27 79.3 1.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -152.91 151.85 30.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -84.47 119.68 25.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.825 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.421 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 18.6 p -76.64 -34.1 58.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 m -82.58 17.64 1.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.553 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 11.4 t70 -119.28 91.45 3.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.572 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 5.8 mtm-85 -59.54 -34.81 73.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 t -71.48 3.22 4.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.858 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.423 ' N ' ' OD1' ' A' ' 17' ' ' ASP . . . -112.78 -27.02 8.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.113 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.572 ' CZ2' ' HG3' ' A' ' 18' ' ' ARG . 48.2 p-90 -129.34 -41.47 1.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.438 ' N ' ' O ' ' A' ' 18' ' ' ARG . 7.4 t80 -66.05 116.41 7.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.514 ' O ' ' C ' ' A' ' 24' ' ' GLY . 4.6 mmt -96.04 0.67 51.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.514 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 28.96 -91.7 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.439 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.509 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.5 Cg_endo -69.77 78.72 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.7 2.267 . . . . 0.0 112.293 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 23' ' ' MET . 33.0 t -155.42 135.59 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.46 ' N ' HG11 ' A' ' 26' ' ' VAL . 4.8 m -103.69 161.4 13.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.5 ttt85 -49.11 -54.01 18.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -44.2 -43.88 7.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 31' ' ' ALA . 17.2 tt0 -74.8 -67.28 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 30' ' ' GLU . . . -35.39 -40.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.085 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.496 ' O ' ' N ' ' A' ' 36' ' ' GLN . 4.4 mt-30 -61.84 -53.56 54.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.443 HG23 ' N ' ' A' ' 34' ' ' ARG . 1.3 t -59.15 -22.96 61.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.067 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.443 ' N ' HG23 ' A' ' 33' ' ' THR . 10.6 mtp180 -81.39 -30.82 33.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.459 ' CD2' ' HG2' ' A' ' 42' ' ' MET . 15.3 mt -112.05 7.82 19.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 32' ' ' GLN . 1.1 tp60 -84.55 107.17 16.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.98 -15.33 53.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.536 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -59.41 161.31 5.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 110.918 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 4.5 ptp180 -51.39 141.34 15.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 47.2 m170 -61.94 124.71 21.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.41 -30.62 4.22 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.441 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.459 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 31.8 ttm -51.11 144.19 9.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.459 ' CB ' HG22 ' A' ' 59' ' ' VAL . 2.2 p90 -151.05 169.85 20.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.401 ' N ' ' CD1' ' A' ' 43' ' ' PHE . 4.3 pp -171.14 152.11 3.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.7 t -122.53 119.83 59.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.5 ptt-85 -123.79 170.47 10.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -72.66 117.55 14.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.7 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.797 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.844 0.354 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -127.66 170.33 12.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 23.5 t -137.42 113.19 11.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 26.1 tp -90.27 90.54 8.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.3 m -74.72 119.17 18.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.478 ' O ' ' N ' ' A' ' 66' ' ' SER . 2.2 t -118.84 154.63 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.09 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.464 ' N ' ' CG1' ' A' ' 59' ' ' VAL . 11.9 t -102.72 119.69 39.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.448 ' CG ' ' CG2' ' A' ' 102' ' ' THR . 6.8 tp10 -171.98 149.79 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.876 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 60.28 39.31 19.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.0 m 54.79 26.44 7.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -146.22 -177.26 5.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 45.8 t -109.77 100.84 11.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 59' ' ' VAL . 3.9 m -74.09 97.68 2.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -80.15 108.51 13.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.529 ' CE2' HD12 ' A' ' 100' ' ' LEU . 47.6 m-85 -99.56 94.87 6.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.454 HG23 ' N ' ' A' ' 70' ' ' ILE . 88.4 mt -60.22 143.0 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.118 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.455 ' CG2' ' HB3' ' A' ' 78' ' ' PHE . 5.0 mp -118.64 97.56 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -60.11 146.32 43.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.7 t -98.11 102.88 14.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 71.5 mt -74.77 147.71 84.44 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.645 0.736 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -20.59 34.9 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.691 2.261 . . . . 0.0 112.339 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -87.45 38.56 0.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? 48.54 42.55 19.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 69.2 mtt180 -134.6 166.77 22.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.455 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 58.2 m-85 -118.71 136.21 54.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -118.55 101.47 8.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.4 ' CD1' ' HB3' ' A' ' 68' ' ' TYR . 5.5 tt -91.46 98.86 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.109 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.78 -108.54 2.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.516 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -117.84 24.8 10.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.734 0.302 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -131.97 161.55 32.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -134.97 149.94 50.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.569 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 98.9 m-85 -140.22 -178.7 5.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -76.11 -30.28 58.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 2.9 p80 -175.97 -175.03 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.483 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 8.5 mt -56.45 -60.13 10.06 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.614 0.721 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.9 Cg_endo -69.75 9.78 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.565 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -109.94 -16.13 13.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.569 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.0 pp -97.05 -41.03 8.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.413 ' N ' HD12 ' A' ' 91' ' ' LEU . 8.4 mt -61.73 -34.74 76.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.439 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 11.7 pt-20 -71.9 -24.84 61.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.564 ' CE2' ' CE1' ' A' ' 98' ' ' HIS . 29.6 t80 -84.81 -17.47 38.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.546 ' CD1' HD21 ' A' ' 100' ' ' LEU . 10.1 m-85 -92.7 -18.57 22.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.439 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 23.4 mtpt -52.29 -18.72 1.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 48.8 pt -117.2 -33.9 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.564 ' CE1' ' CE2' ' A' ' 94' ' ' PHE . 62.8 m170 -83.84 143.81 29.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.541 ' CD2' HG21 ' A' ' 104' ' ' THR . 6.7 m-85 -95.36 114.59 26.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.546 HD21 ' CD1' ' A' ' 95' ' ' TYR . 6.8 mt -51.02 -68.66 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.938 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -120.96 -64.86 1.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.448 ' CG2' ' CG ' ' A' ' 61' ' ' GLU . 14.2 t -126.21 -8.07 6.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.9 t -146.56 -176.23 5.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.16 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.541 HG21 ' CD2' ' A' ' 99' ' ' TYR . 31.0 p -125.74 174.07 8.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.184 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 41.1 mt -81.1 111.81 17.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.8 mm -87.67 -68.35 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -151.64 151.99 29.59 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.669 0.747 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 143.46 50.5 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.682 2.255 . . . . 0.0 112.348 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -51.33 158.5 1.35 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.566 0.698 . . . . 0.0 111.09 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.177 0 C-N-CA 122.724 2.283 . . . . 0.0 112.333 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.784 0.326 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? -110.43 93.36 4.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -147.83 167.05 25.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -96.02 91.37 5.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.477 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 92.9 p -55.35 -16.46 3.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.807 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.6 t -83.07 -40.95 19.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.555 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 11.9 t0 -59.85 88.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.843 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.558 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 22.7 mtt180 -57.9 -37.24 73.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.5 t -69.61 -0.92 7.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.461 ' N ' ' OD1' ' A' ' 17' ' ' ASP . . . -107.83 -28.05 9.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.558 ' CZ2' ' HG3' ' A' ' 18' ' ' ARG . 60.8 p-90 -127.14 -43.06 1.67 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.479 ' N ' ' O ' ' A' ' 18' ' ' ARG . 20.8 t80 -68.93 113.15 6.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.545 ' O ' ' N ' ' A' ' 25' ' ' PRO . 6.4 mmt -94.46 -3.53 49.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.53 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 26.09 -89.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.545 ' N ' ' O ' ' A' ' 23' ' ' MET . 54.1 Cg_endo -69.75 78.86 0.98 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.629 2.219 . . . . 0.0 112.323 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.492 ' CG2' ' HB3' ' A' ' 23' ' ' MET . 10.5 t -151.65 135.19 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.2 t -82.83 158.76 22.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -60.75 -48.85 79.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -53.5 -33.12 53.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 32' ' ' GLN . 15.7 tt0 -73.85 -68.84 0.48 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 30' ' ' GLU . . . -36.6 -29.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 30' ' ' GLU . 5.0 mt-30 -72.49 -51.21 21.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.468 HG22 ' N ' ' A' ' 34' ' ' ARG . 9.7 t -58.96 -26.17 64.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.153 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.468 ' N ' HG22 ' A' ' 33' ' ' THR . 1.7 mtp-105 -79.39 -32.7 43.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.3 mt -110.02 10.92 24.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.497 ' N ' ' O ' ' A' ' 32' ' ' GLN . 1.5 tp60 -90.52 111.69 23.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.75 -18.34 26.25 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -58.13 172.27 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.76 0.314 . . . . 0.0 110.953 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -66.59 140.98 57.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 56.6 m170 -60.01 124.7 21.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 132.13 -35.27 2.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.485 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 30.0 ttm -53.11 147.11 10.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.859 0.362 . . . . 0.0 110.836 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -154.83 170.93 20.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.1 pp -169.14 155.13 6.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.467 ' O ' ' CD1' ' A' ' 22' ' ' TYR . 20.1 t -126.14 108.44 19.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.0 ptt-85 -114.36 173.91 6.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -76.54 123.84 26.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 4.8 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' A' ' 48' ' ' SER . 5.1 m-20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.844 0.354 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -125.23 166.76 15.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.3 t -134.66 119.43 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.451 ' CB ' HD12 ' A' ' 70' ' ' ILE . 26.6 tp -93.05 89.13 6.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.4 m -77.49 117.64 19.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.456 HG23 ' N ' ' A' ' 60' ' ' SER . 0.1 OUTLIER -130.12 141.25 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.106 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.456 ' N ' HG23 ' A' ' 59' ' ' VAL . 42.5 t -79.6 118.27 21.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.488 ' OE2' ' CG2' ' A' ' 102' ' ' THR . 4.0 tp10 -169.98 143.66 2.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 62.05 50.86 3.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.943 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.2 t 44.35 33.38 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 42.2 ptt85 -162.95 173.24 13.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.9 t -98.47 106.26 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 61.4 m -73.46 89.51 1.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -68.46 85.07 0.28 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.419 ' CE2' HD12 ' A' ' 100' ' ' LEU . 21.3 m-85 -80.11 92.89 5.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.421 HG22 ' N ' ' A' ' 70' ' ' ILE . 91.7 mt -61.38 144.71 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.451 HD12 ' CB ' ' A' ' 57' ' ' LEU . 5.2 mp -117.43 109.61 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -72.69 133.69 44.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.3 t -91.72 111.32 22.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 22.9 mt -83.55 149.77 58.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.608 0.718 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -7.89 22.21 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.707 2.271 . . . . 0.0 112.36 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.99 24.52 4.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 40.8 mtt85 61.92 26.86 16.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.28 157.99 35.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.836 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.56 ' CE2' ' HG ' ' A' ' 88' ' ' LEU . 47.8 m-85 -106.01 147.52 28.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -128.43 101.87 6.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.7 tt -91.7 102.6 13.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.99 -106.7 2.08 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -116.46 18.25 15.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.791 0.329 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.8 mp0 -123.84 156.6 35.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -131.73 142.97 49.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.57 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 99.3 m-85 -132.32 177.99 7.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -75.74 -30.94 59.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.563 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 2.9 p80 -175.88 -175.03 0.71 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.56 ' HG ' ' CE2' ' A' ' 78' ' ' PHE . 9.3 mt -56.56 -60.23 9.84 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.618 0.723 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.1 Cg_endo -69.78 9.0 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.656 2.238 . . . . 0.0 112.339 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.563 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -107.92 -22.07 12.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.57 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.2 pp -92.53 -40.14 10.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 23.8 mt -60.68 -34.57 74.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.47 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 5.4 pt-20 -72.39 -26.44 61.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.869 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -84.23 -22.25 30.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -84.72 -24.78 28.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.47 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 31.0 mtpt -50.2 -19.59 0.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.453 HG13 ' N ' ' A' ' 98' ' ' HIS . 46.8 pt -112.87 -36.15 2.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.123 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.453 ' N ' HG13 ' A' ' 97' ' ' ILE . 56.8 m170 -87.99 134.91 33.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.533 ' CD2' HG23 ' A' ' 104' ' ' THR . 29.5 m-85 -85.25 114.09 22.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.419 HD12 ' CE2' ' A' ' 68' ' ' TYR . 13.6 mt -48.43 -71.04 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -121.33 -64.86 1.19 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.488 ' CG2' ' OE2' ' A' ' 61' ' ' GLU . 7.3 t -126.8 -5.17 6.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.2 t -151.52 -178.74 6.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.162 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.533 HG23 ' CD2' ' A' ' 99' ' ' TYR . 45.1 p -120.18 178.09 4.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 82.6 mt -86.99 101.78 13.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.924 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 18.8 mm -73.86 -71.59 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.117 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -150.57 152.33 32.39 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.669 0.747 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 137.73 36.01 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.26 . . . . 0.0 112.338 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -51.04 160.86 0.77 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.629 0.728 . . . . 0.0 111.087 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.446 ' O ' ' NH1' ' A' ' 34' ' ' ARG . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.205 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.781 0.324 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -127.41 99.28 5.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -165.5 172.6 11.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -106.17 92.4 4.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.495 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 82.4 p -54.99 -21.51 12.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 88.7 p -79.08 -41.89 27.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.589 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 14.7 t70 -64.6 95.16 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.835 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.574 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 22.1 mtm180 -58.33 -39.15 78.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 t -66.53 -3.91 7.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -101.73 -27.9 12.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.589 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 31.2 p-90 -127.57 -46.49 1.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.944 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.511 ' N ' ' O ' ' A' ' 18' ' ' ARG . 26.1 t80 -65.92 101.5 0.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.963 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.507 ' O ' ' N ' ' A' ' 25' ' ' PRO . 4.2 mmt -79.39 -5.74 55.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.506 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 29.07 -91.84 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.499 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.507 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.8 Cg_endo -69.79 78.83 0.99 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.638 2.225 . . . . 0.0 112.343 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.476 ' CG2' ' HB3' ' A' ' 23' ' ' MET . 20.3 t -152.03 140.55 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.167 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 70.7 m -93.7 160.81 14.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -57.35 -53.76 54.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -49.11 -31.68 8.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 33' ' ' THR . 24.3 tt0 -78.88 -69.92 0.54 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 30' ' ' GLU . . . -35.42 -36.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 36' ' ' GLN . 11.3 mt-30 -70.51 -46.66 63.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.961 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 30' ' ' GLU . 1.2 t -61.32 -23.31 65.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.172 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -83.18 -32.66 26.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.6 mt -106.25 5.39 29.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 32' ' ' GLN . 2.7 tp60 -82.83 116.53 22.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.22 -3.33 72.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.509 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -72.88 166.96 21.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.855 0.36 . . . . 0.0 110.869 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.62 158.63 23.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 63.1 m170 -75.63 120.19 20.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 135.81 -21.98 3.51 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.474 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 26.9 ttm -66.18 152.19 45.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.83 0.348 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.49 ' CB ' HG22 ' A' ' 59' ' ' VAL . 9.3 p90 -159.2 171.23 20.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.422 ' HB2' ' CG ' ' A' ' 23' ' ' MET . 4.2 pp -174.05 150.11 1.55 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' A' ' 23' ' ' MET . 21.8 t -120.28 119.86 61.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.8 ptt85 -125.66 173.17 9.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -71.16 120.77 17.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.1 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.718 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.819 0.342 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -117.97 167.41 11.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 87.4 t -134.99 108.25 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.177 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.518 ' C ' ' CD2' ' A' ' 57' ' ' LEU . 3.4 tt -87.71 99.23 11.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.5 m -81.4 118.7 22.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.539 ' HB ' ' CE2' ' A' ' 68' ' ' TYR . 1.3 t -116.79 156.67 17.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.476 ' N ' ' CG1' ' A' ' 59' ' ' VAL . 12.5 t -106.73 105.84 16.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.499 ' OE2' ' ND2' ' A' ' 62' ' ' ASN . 1.7 tm-20 -154.94 145.49 22.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.499 ' ND2' ' OE2' ' A' ' 61' ' ' GLU . 75.3 m-20 62.52 51.45 3.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.7 p 43.59 30.67 0.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -155.41 166.14 34.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.9 t -92.23 106.7 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 68' ' ' TYR . 8.6 m -79.21 93.84 5.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -70.76 105.68 3.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.565 ' CE2' HD11 ' A' ' 100' ' ' LEU . 28.2 m-85 -99.24 93.62 6.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 69.8 mt -62.51 142.53 16.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.098 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.419 ' CG2' ' HB3' ' A' ' 78' ' ' PHE . 4.1 mp -117.55 113.83 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.093 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -75.31 134.43 41.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.7 t -88.5 121.28 30.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 24.4 mt -93.68 147.97 34.55 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.611 0.72 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -19.88 35.54 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.673 2.249 . . . . 0.0 112.369 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -84.68 28.84 0.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 56.01 46.52 21.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 66.0 mtp180 -144.63 155.72 43.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.459 ' CE2' ' CD2' ' A' ' 88' ' ' LEU . 96.0 m-85 -103.08 150.55 23.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -132.8 102.65 5.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.0 tt -87.28 104.42 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.33 -101.52 0.83 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.495 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -118.94 17.38 13.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.745 0.307 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -122.43 163.8 19.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -139.77 152.35 46.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.569 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 97.1 m-85 -141.64 -177.03 4.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -83.91 -28.98 27.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.56 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 3.3 p80 -175.62 -175.51 0.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.823 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.473 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 3.4 mm? -56.91 -60.31 9.88 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.606 0.717 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.473 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.6 Cg_endo -69.71 9.1 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.654 2.236 . . . . 0.0 112.353 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.56 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -106.05 -22.82 12.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.569 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.0 pp -97.83 -40.87 8.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.446 HD23 ' CE2' ' A' ' 43' ' ' PHE . 11.0 mt -60.77 -35.85 77.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -72.3 -24.95 61.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.525 ' CE2' ' CE1' ' A' ' 98' ' ' HIS . 44.1 t80 -83.44 -28.63 28.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.462 ' CE1' HD22 ' A' ' 100' ' ' LEU . 11.1 m-85 -79.94 -18.82 49.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.93 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -53.06 -17.27 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.431 HG13 ' N ' ' A' ' 98' ' ' HIS . 45.9 pt -114.24 -33.83 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.525 ' CE1' ' CE2' ' A' ' 94' ' ' PHE . 57.7 m170 -85.01 155.89 21.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.523 ' CD2' HG21 ' A' ' 104' ' ' THR . 3.2 m-85 -108.51 120.32 42.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.565 HD11 ' CE2' ' A' ' 68' ' ' TYR . 6.7 mt -62.57 -72.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.941 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.03 -69.24 0.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.3 t -130.77 3.17 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.156 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 14.2 t -156.08 174.02 15.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.523 HG21 ' CD2' ' A' ' 99' ' ' TYR . 12.1 p -113.3 176.64 4.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 78.5 mt -83.93 112.36 20.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 23.1 mm -91.68 -70.65 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -144.46 148.64 41.24 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.568 0.699 . . . . 0.0 110.913 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 134.78 28.71 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.672 2.248 . . . . 0.0 112.328 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -41.73 153.94 0.26 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.659 0.743 . . . . 0.0 111.062 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.22 0 C-N-CA 122.658 2.238 . . . . 0.0 112.319 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.816 0.341 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -119.97 91.99 3.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -141.86 168.22 20.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -98.86 90.14 4.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.495 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 62.6 p -52.4 -27.86 17.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.87 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 82.8 p -75.85 -41.04 53.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.595 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 17.0 t70 -64.52 92.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.567 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 19.6 mtm180 -62.74 -34.86 78.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.4 t -70.23 1.16 5.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.488 ' CB ' ' OD2' ' A' ' 17' ' ' ASP . . . -109.01 -26.8 10.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.595 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 58.3 p-90 -128.65 -43.83 1.38 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.449 ' N ' ' O ' ' A' ' 18' ' ' ARG . 27.8 t80 -66.64 113.62 4.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.521 ' O ' ' N ' ' A' ' 25' ' ' PRO . 6.5 mmt -94.54 -4.9 47.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.517 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 28.05 -91.2 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.436 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.521 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.9 Cg_endo -69.74 79.04 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.664 2.242 . . . . 0.0 112.365 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.49 ' CG2' ' HB3' ' A' ' 23' ' ' MET . 12.7 t -151.56 129.66 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.8 m -77.89 157.67 29.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' A' ' 28' ' ' ARG . 15.3 ttp-105 -57.57 -52.84 63.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -51.4 -34.36 34.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -71.4 -65.01 0.81 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.403 ' CB ' HD22 ' A' ' 44' ' ' LEU . . . -40.35 -33.42 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 36' ' ' GLN . 10.7 mt-30 -66.9 -47.91 70.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.497 HG21 ' N ' ' A' ' 34' ' ' ARG . 11.0 t -62.2 -24.85 67.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.497 ' N ' HG21 ' A' ' 33' ' ' THR . 11.6 mtp180 -80.98 -31.49 34.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.468 ' CD2' ' HG2' ' A' ' 42' ' ' MET . 25.0 mt -111.03 11.36 22.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 32' ' ' GLN . 0.7 OUTLIER -87.56 113.08 22.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.87 -26.69 4.12 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.486 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -48.37 163.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.338 . . . . 0.0 110.919 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.55 151.24 8.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.457 ' CG ' ' OE1' ' A' ' 61' ' ' GLU . 40.3 m170 -68.8 126.4 29.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 127.24 -38.1 2.22 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.47 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.468 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 30.8 ttm -41.63 154.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.835 0.35 . . . . 0.0 110.847 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -160.65 169.25 23.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.489 ' C ' ' CD1' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -170.3 146.35 2.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.418 ' O ' ' CD1' ' A' ' 22' ' ' TYR . 20.9 t -120.3 110.26 28.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.408 ' NH1' ' O ' ' A' ' 26' ' ' VAL . 13.6 ptt85 -112.55 -178.4 3.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -86.71 116.52 24.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 8.2 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.421 ' O ' ' CB ' ' A' ' 48' ' ' SER . 20.4 m-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.844 0.354 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -112.45 166.81 10.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.5 t -140.38 106.98 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.498 ' O ' ' CD1' ' A' ' 57' ' ' LEU . 1.5 tm? -87.2 105.29 17.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 65.4 m -97.35 149.8 21.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.4 m -144.16 158.34 15.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.4 t -99.17 104.81 16.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.822 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.457 ' OE1' ' CG ' ' A' ' 40' ' ' HIS . 12.1 tp10 -157.78 161.03 38.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 39.0 m-20 56.33 29.79 15.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.932 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.6 m 62.5 25.01 14.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -152.48 -175.37 5.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 39.6 t -110.76 112.06 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.8 m -83.82 101.27 11.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -82.38 100.14 9.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -97.26 103.6 15.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.962 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.449 HG23 ' N ' ' A' ' 70' ' ' ILE . 99.0 mt -69.61 141.09 17.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.449 ' N ' HG23 ' A' ' 69' ' ' ILE . 4.5 mp -112.82 113.34 43.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.175 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -76.7 130.78 38.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.9 t -81.75 119.81 24.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 22.8 mt -89.38 149.95 43.7 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.619 0.723 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -23.8 30.51 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.725 2.283 . . . . 0.0 112.32 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -83.03 43.32 0.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.436 ' HB3' ' NH1' ' A' ' 76' ' ' ARG . 5.2 mmm180 43.96 43.5 5.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 43.5 mtt85 -141.24 163.57 32.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.419 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 25.9 m-85 -112.22 153.54 26.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 47.3 tttt -132.71 103.37 6.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.4 tt -94.67 103.14 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.101 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 76.39 -109.13 2.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.48 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -117.86 24.89 10.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.749 0.309 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 51.2 mm-40 -131.46 170.43 14.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -142.03 147.28 36.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.576 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 96.7 m-85 -138.03 170.32 16.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.861 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.31 -33.12 75.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 3.2 p80 -173.31 -175.0 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.834 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.487 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 9.0 mt -57.54 -60.05 11.04 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.645 0.736 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.7 Cg_endo -69.71 11.13 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.709 2.273 . . . . 0.0 112.362 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.567 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -110.2 -21.64 12.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.576 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.4 pp -91.31 -40.79 11.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.459 ' N ' HD13 ' A' ' 91' ' ' LEU . 16.3 mt -59.56 -33.29 71.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -74.4 -24.94 59.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.483 ' CE2' ' CE1' ' A' ' 98' ' ' HIS . 9.6 t80 -83.01 -26.83 30.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -78.47 -22.45 47.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -51.09 -18.22 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 45.4 pt -117.66 -33.75 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.483 ' CE1' ' CE2' ' A' ' 94' ' ' PHE . 60.7 m170 -88.35 137.54 32.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.547 ' CD2' HG23 ' A' ' 104' ' ' THR . 2.2 m-85 -91.51 115.98 28.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.963 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.4 mp -53.74 -69.6 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -114.27 -69.08 0.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.5 t -130.12 -1.34 4.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.142 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.4 t -150.19 177.29 10.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.547 HG23 ' CD2' ' A' ' 99' ' ' TYR . 77.2 p -118.91 -179.2 3.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.5 mt -88.01 119.41 28.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 21.0 mm -94.06 -67.74 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -149.14 145.09 18.79 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.613 0.72 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 138.58 38.16 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.68 2.253 . . . . 0.0 112.387 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.21 157.4 12.2 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.57 0.7 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.21 0 C-N-CA 122.669 2.246 . . . . 0.0 112.395 179.929 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.761 0.315 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -128.8 90.27 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.554 ' CZ ' ' HE3' ' A' ' 96' ' ' LYS . 54.0 p90 -155.4 148.67 24.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -80.13 97.72 6.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.496 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 9.4 t -61.62 -18.1 58.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.4 t -78.08 -35.52 49.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.595 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 35.5 t0 -68.72 95.67 0.68 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.56 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 13.4 mtm180 -63.59 -37.68 88.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.3 t -67.68 -2.54 7.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -103.99 -28.43 11.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.061 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.595 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 55.7 p-90 -128.15 -44.46 1.43 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.51 ' N ' ' O ' ' A' ' 18' ' ' ARG . 8.3 t80 -62.53 102.65 0.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.95 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.513 ' O ' ' N ' ' A' ' 25' ' ' PRO . 4.6 mmt -81.68 -9.32 59.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.504 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 28.68 -91.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.482 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.513 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.3 Cg_endo -69.83 78.73 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.636 2.224 . . . . 0.0 112.328 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.478 ' CG2' ' HB3' ' A' ' 23' ' ' MET . 5.3 t -149.83 146.03 17.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.4 m -98.01 145.86 26.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.1 ttt-85 -47.47 -52.17 18.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -48.26 -32.66 7.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 32' ' ' GLN . 11.9 tt0 -76.03 -68.76 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 30' ' ' GLU . . . -36.9 -28.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.077 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' A' ' 30' ' ' GLU . 8.3 mt-30 -71.5 -53.02 15.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.2 t -62.21 -21.05 64.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.173 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -79.59 -33.77 41.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.6 mt -109.75 3.95 21.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' GLN . 4.1 tp60 -80.49 106.73 12.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.86 8.86 75.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -85.97 163.0 18.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.818 0.342 . . . . 0.0 110.897 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.37 149.51 24.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 39.0 m170 -68.08 117.55 10.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 138.59 -27.27 2.73 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 24.9 ttm -58.22 153.87 14.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.489 ' CB ' HG22 ' A' ' 59' ' ' VAL . 6.3 p90 -160.93 171.18 19.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.6 pp -174.64 146.24 0.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.2 t -115.96 113.22 42.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.409 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -114.43 174.6 5.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.919 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.31 119.51 20.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 22.9 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.469 ' O ' ' CB ' ' A' ' 48' ' ' SER . 1.8 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.8 0.333 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -122.92 167.85 13.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.4 HG13 ' NH1' ' A' ' 46' ' ' ARG . 61.5 t -137.4 113.08 11.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.159 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.507 ' C ' ' CD2' ' A' ' 57' ' ' LEU . 3.0 tt -92.84 94.27 8.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.972 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.4 m -77.38 116.81 18.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.508 ' HB ' ' CE2' ' A' ' 68' ' ' TYR . 1.0 OUTLIER -116.33 151.51 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.11 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.8 t -97.31 118.39 33.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.436 ' CD ' ' CG2' ' A' ' 102' ' ' THR . 7.2 tp10 -166.32 143.02 5.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 59.21 50.82 7.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.3 t 42.52 32.19 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.1 ptt-85 -146.99 176.4 9.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.437 HG13 ' CE1' ' A' ' 67' ' ' HIS . 6.5 t -103.83 98.2 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 68' ' ' TYR . 20.1 m -73.72 90.89 1.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.437 ' CE1' HG13 ' A' ' 65' ' ' VAL . 77.8 m-70 -75.42 108.01 7.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.571 ' CE2' HD12 ' A' ' 100' ' ' LEU . 32.6 m-85 -100.0 95.28 6.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.984 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.448 HG23 ' N ' ' A' ' 70' ' ' ILE . 69.1 mt -61.27 144.9 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.448 ' N ' HG23 ' A' ' 69' ' ' ILE . 5.2 mp -114.58 119.55 61.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.15 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -82.08 122.13 27.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.4 t -81.57 107.55 14.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.829 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 55.8 mt -79.83 143.94 59.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.58 0.705 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -13.41 34.7 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 41.8 p-10 -85.31 27.98 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 60.41 37.15 20.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -143.01 167.25 22.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.418 ' CD1' ' N ' ' A' ' 78' ' ' PHE . 4.0 m-85 -113.25 166.71 11.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -148.98 105.49 3.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.7 tt -91.07 105.34 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.18 -105.72 2.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.523 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -119.18 15.39 13.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.761 0.315 . . . . 0.0 110.852 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -121.07 157.7 29.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -127.05 149.25 50.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.602 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 95.8 m-85 -138.83 171.92 13.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -71.72 -30.37 65.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.575 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 3.0 p80 -175.5 -175.01 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.486 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 8.8 mt -57.09 -59.83 11.48 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.644 0.735 . . . . 0.0 110.964 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.8 Cg_endo -69.76 10.48 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.651 2.234 . . . . 0.0 112.341 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.575 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -110.15 -19.16 13.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.081 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.602 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.2 pp -93.96 -40.73 9.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 28.5 mt -62.35 -44.41 96.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -62.17 -27.95 69.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -80.29 -34.95 36.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.518 ' CG ' HD21 ' A' ' 100' ' ' LEU . 26.5 m-85 -77.03 -9.0 58.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.554 ' HE3' ' CZ ' ' A' ' 13' ' ' PHE . 56.7 mttt -58.71 -21.29 54.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.889 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.494 HG13 ' CD2' ' A' ' 98' ' ' HIS . 38.7 pt -113.12 -35.79 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.494 ' CD2' HG13 ' A' ' 97' ' ' ILE . 45.9 m170 -90.08 132.0 35.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.556 ' CD2' HG22 ' A' ' 104' ' ' THR . 6.4 m-85 -82.0 114.9 20.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.952 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.571 HD12 ' CE2' ' A' ' 68' ' ' TYR . 6.6 mt -46.63 -70.2 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -111.12 -64.59 1.26 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.436 ' CG2' ' CD ' ' A' ' 61' ' ' GLU . 2.8 t -133.82 -0.29 3.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.6 t -151.24 171.28 17.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.556 HG22 ' CD2' ' A' ' 99' ' ' TYR . 2.0 p -107.21 -179.8 4.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 97.7 mt -92.61 106.61 18.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 22.7 mm -78.87 -67.19 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -155.54 151.91 23.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.659 0.742 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 143.89 52.53 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.14 150.05 96.02 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.582 0.706 . . . . 0.0 111.098 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.341 0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.383 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.765 0.317 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.7 mmm-85 -131.78 94.27 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -156.97 -176.49 6.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -113.55 89.21 3.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.492 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 58.6 m -56.49 -24.87 49.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.816 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 m -74.81 -38.76 62.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.596 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 16.5 t70 -72.8 110.45 7.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.562 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 5.7 mtm-85 -70.14 -36.01 74.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.3 t -66.31 -3.57 6.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -101.67 -28.64 12.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.121 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.596 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 49.4 p-90 -128.96 -44.97 1.28 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.943 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.518 ' N ' ' CE3' ' A' ' 21' ' ' TRP . 7.8 t80 -54.17 122.05 9.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.512 ' O ' ' N ' ' A' ' 25' ' ' PRO . 7.9 mmt -103.23 -4.08 24.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.51 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 29.01 -91.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.512 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.8 Cg_endo -69.81 78.99 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.464 ' CG2' ' HB3' ' A' ' 23' ' ' MET . 39.3 t -156.93 135.98 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.455 ' N ' HG12 ' A' ' 26' ' ' VAL . 3.0 m -97.52 174.8 6.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -62.94 -47.17 84.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -55.58 -35.89 66.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.946 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -75.31 -65.16 0.92 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.83 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.424 ' CB ' ' HD3' ' A' ' 46' ' ' ARG . . . -39.99 -29.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.075 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.5 ' O ' ' N ' ' A' ' 36' ' ' GLN . 8.4 mt-30 -71.16 -49.69 41.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.499 HG22 ' N ' ' A' ' 34' ' ' ARG . 12.0 t -59.13 -24.89 63.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.499 ' N ' HG22 ' A' ' 33' ' ' THR . 1.5 mtp-105 -81.13 -33.54 33.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 24.2 mt -108.32 9.39 27.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 32' ' ' GLN . 2.5 tp60 -88.62 106.27 18.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.16 -9.96 76.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.494 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -68.83 162.71 25.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 -61.06 145.29 51.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 38.1 m170 -58.09 139.22 55.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 42' ' ' MET . . . 116.16 -47.62 1.02 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.462 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 41' ' ' GLY . 31.3 ttm -37.05 152.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.337 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -157.24 168.57 27.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.2 pp -169.93 142.83 2.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.6 t -117.45 108.71 25.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.424 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 13.0 ptt85 -110.94 163.87 13.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -67.22 118.16 10.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.6 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.772 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.853 0.358 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -119.1 171.49 8.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 86.8 t -145.5 111.16 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.515 ' C ' ' CD1' ' A' ' 57' ' ' LEU . 1.4 tm? -92.41 112.75 24.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.955 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.413 ' HB3' ' CG1' ' A' ' 65' ' ' VAL . 17.6 m -107.23 141.08 39.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.408 HG11 ' C ' ' A' ' 58' ' ' SER . 12.3 m -137.1 163.88 31.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.125 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.3 t -92.97 98.2 11.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.501 ' CG ' ' CG2' ' A' ' 102' ' ' THR . 16.4 tt0 -148.6 152.87 37.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 57.1 53.28 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.4 t 41.75 30.51 0.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.1 ptt180 -159.49 -175.66 5.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.413 ' CG1' ' HB3' ' A' ' 58' ' ' SER . 49.2 t -105.68 105.44 18.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 68' ' ' TYR . 15.5 m -73.44 99.98 3.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -80.41 104.51 11.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.852 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.428 ' CZ ' ' HB3' ' A' ' 66' ' ' SER . 27.3 m-85 -102.64 109.05 20.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 87.4 mt -74.33 145.05 11.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.115 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.5 mp -116.1 113.16 42.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -75.24 132.73 41.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.3 t -90.96 120.27 31.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.5 mt -91.13 151.66 43.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.589 0.709 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -21.23 33.68 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.656 2.237 . . . . 0.0 112.319 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -84.94 44.32 1.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 62.3 mtt-85 41.93 45.53 3.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 22.3 mtt85 -145.07 151.27 38.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -102.06 165.98 10.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -145.62 109.26 4.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 7.9 tt -97.99 99.11 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.47 -103.83 2.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.448 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -119.9 21.52 11.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.801 0.334 . . . . 0.0 110.856 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -131.99 167.12 20.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -138.42 158.56 44.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.604 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 93.9 m-85 -146.3 170.09 17.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.61 -35.91 81.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.574 ' CE1' ' HB1' ' A' ' 90' ' ' ALA . 3.8 p80 -167.88 -175.77 2.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.494 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 9.3 mt -58.52 -59.67 12.8 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.601 0.715 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.9 Cg_endo -69.76 12.57 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.651 2.234 . . . . 0.0 112.352 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.574 ' HB1' ' CE1' ' A' ' 87' ' ' HIS . . . -110.45 -24.13 10.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.604 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.5 pp -88.71 -41.57 12.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.459 ' N ' HD13 ' A' ' 91' ' ' LEU . 7.1 mt -56.29 -40.61 74.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.954 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.473 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 6.0 mt-10 -66.15 -27.38 67.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -80.96 -19.29 44.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.449 ' CE1' HD21 ' A' ' 100' ' ' LEU . 6.4 m-85 -92.0 -23.53 19.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.907 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.473 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 16.9 mtpt -48.51 -20.41 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.897 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 48.7 pt -114.28 -30.91 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.14 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 58.7 m170 -88.47 149.95 23.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.543 ' CD2' HG22 ' A' ' 104' ' ' THR . 19.0 m-85 -99.8 113.75 26.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.449 HD21 ' CE1' ' A' ' 95' ' ' TYR . 7.7 mt -54.18 -65.78 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.951 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.42 ' CB ' ' OE2' ' A' ' 61' ' ' GLU . 6.2 m-20 -118.89 -63.91 1.34 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.501 ' CG2' ' CG ' ' A' ' 61' ' ' GLU . 7.6 t -134.51 -0.61 2.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 10.5 t -150.56 179.12 8.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.15 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.543 HG22 ' CD2' ' A' ' 99' ' ' TYR . 60.7 p -116.15 -175.4 2.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 91.5 mt -95.87 104.37 16.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 14.4 mm -81.41 -72.31 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -149.99 146.91 21.05 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.638 0.732 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 152.34 69.35 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.694 2.262 . . . . 0.0 112.354 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.55 149.32 95.54 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.575 0.702 . . . . 0.0 111.042 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.339 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.78 0.324 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -128.46 93.42 3.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -157.32 146.06 19.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.822 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -77.35 105.79 8.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.473 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 36.6 p -64.86 -24.78 67.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 m -77.69 -31.59 52.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.878 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.472 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 11.6 t0 -69.1 96.56 0.81 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.561 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 6.0 mtm-85 -64.14 -38.27 90.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.3 t -65.69 -4.32 6.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.08 -32.69 10.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.097 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.561 ' CZ2' ' HG3' ' A' ' 18' ' ' ARG . 54.3 p-90 -123.54 -45.17 2.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.541 ' N ' ' CE3' ' A' ' 21' ' ' TRP . 5.5 t80 -55.24 132.02 46.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.518 ' O ' ' N ' ' A' ' 25' ' ' PRO . 13.4 mmt -119.69 -9.95 9.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.49 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 30.83 -91.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.45 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.518 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.7 Cg_endo -69.73 79.4 0.94 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.645 2.23 . . . . 0.0 112.327 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.447 ' CG2' ' HB3' ' A' ' 23' ' ' MET . 46.3 t -155.4 131.19 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.429 ' N ' HG11 ' A' ' 26' ' ' VAL . 61.5 p -85.08 160.41 19.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.412 ' HB2' ' NH2' ' A' ' 46' ' ' ARG . 45.5 ttm-85 -57.82 -54.23 49.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -46.08 -40.73 11.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -67.04 -66.31 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.31 -33.33 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 36' ' ' GLN . 23.9 mt-30 -71.41 -44.33 65.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.451 HG21 ' N ' ' A' ' 34' ' ' ARG . 1.4 t -62.47 -22.38 66.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.451 ' N ' HG21 ' A' ' 33' ' ' THR . 6.3 mtm180 -85.16 -33.05 22.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.8 mt -105.63 5.39 31.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 32' ' ' GLN . 0.6 OUTLIER -82.86 107.78 15.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.887 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.52 14.56 79.83 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.526 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.403 ' CG ' ' O ' ' A' ' 34' ' ' ARG . 12.7 mm100 -90.73 173.51 7.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.347 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -65.25 128.95 37.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 58.1 m170 -51.74 127.2 20.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 129.84 -35.24 2.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.458 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 21.4 ttm -51.71 148.55 5.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.748 0.309 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.467 ' CB ' HG23 ' A' ' 59' ' ' VAL . 6.5 p90 -154.29 165.62 35.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.439 ' CD1' ' O ' ' A' ' 44' ' ' LEU . 3.4 pp -170.94 132.13 0.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.2 t -100.77 126.76 54.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.412 ' NH2' ' HB2' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -131.56 157.09 44.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -62.52 125.12 22.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.776 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.782 0.325 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -134.98 171.17 14.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.6 t -139.91 117.83 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.174 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.412 HD13 ' CD2' ' A' ' 92' ' ' LEU . 5.3 tt -96.95 95.74 8.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.7 m -78.1 111.62 14.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.467 HG23 ' CB ' ' A' ' 43' ' ' PHE . 1.0 OUTLIER -112.76 151.27 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.103 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.45 ' N ' HG13 ' A' ' 59' ' ' VAL . 1.4 t -97.36 97.42 9.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.431 ' CG ' ' CG2' ' A' ' 102' ' ' THR . 8.9 tt0 -144.15 145.85 32.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.836 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 60.53 53.88 3.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 m 40.77 33.14 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -154.68 176.84 11.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.1 t -98.78 98.26 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 68' ' ' TYR . 14.1 m -74.75 91.21 2.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -73.15 107.49 5.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.569 ' CE2' HD11 ' A' ' 100' ' ' LEU . 36.7 m-85 -98.8 94.97 6.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.452 HG23 ' N ' ' A' ' 70' ' ' ILE . 77.9 mt -62.39 142.28 16.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.148 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.452 ' N ' HG23 ' A' ' 69' ' ' ILE . 5.3 mp -116.16 109.11 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -69.27 142.92 54.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.9 t -96.17 105.45 17.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.5 mt -71.68 146.54 91.16 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.668 0.746 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -22.9 31.53 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.69 2.26 . . . . 0.0 112.337 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.468 ' O ' ' CD ' ' A' ' 77' ' ' ARG . 1.6 p30 -86.39 46.49 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 44.77 48.2 8.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.468 ' CD ' ' O ' ' A' ' 75' ' ' ASN . 6.6 mpt_? -145.99 169.95 17.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -119.57 159.37 24.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -142.24 112.21 6.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.0 tt -96.71 100.17 10.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.7 -104.62 2.1 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.04 20.32 12.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.781 0.324 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -129.11 157.95 40.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -131.25 153.45 49.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.578 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 98.1 m-85 -141.38 174.99 10.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.06 -30.76 68.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.57 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 2.8 p80 -175.72 -174.99 0.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.486 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 8.8 mt -56.62 -60.0 10.6 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.623 0.725 . . . . 0.0 110.925 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.5 Cg_endo -69.76 9.31 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.68 2.253 . . . . 0.0 112.322 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.57 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -109.21 -19.81 13.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.073 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.578 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.0 pp -92.13 -40.5 11.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.412 ' CD2' HD13 ' A' ' 57' ' ' LEU . 13.2 mt -61.37 -39.23 89.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.413 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 7.1 pt-20 -66.67 -24.96 66.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -88.44 -14.33 38.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.445 ' CD1' HD22 ' A' ' 100' ' ' LEU . 3.0 m-85 -94.78 -20.55 19.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.413 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 30.3 mtpt -55.19 -21.18 12.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.43 HG13 ' N ' ' A' ' 98' ' ' HIS . 39.0 pt -110.4 -33.36 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.43 ' N ' HG13 ' A' ' 97' ' ' ILE . 62.4 m170 -88.22 143.49 27.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.56 ' CD2' HG22 ' A' ' 104' ' ' THR . 7.2 m-85 -93.3 114.65 27.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.569 HD11 ' CE2' ' A' ' 68' ' ' TYR . 7.5 mt -49.84 -72.46 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -117.52 -65.28 1.2 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.431 ' CG2' ' CG ' ' A' ' 61' ' ' GLU . 7.0 t -127.37 -3.63 6.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.128 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.3 t -148.68 -175.61 5.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.56 HG22 ' CD2' ' A' ' 99' ' ' TYR . 80.9 p -124.41 179.08 5.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.432 HD13 ' CB ' ' A' ' 95' ' ' TYR . 96.7 mt -87.06 105.78 17.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 19.1 mm -80.49 -72.35 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.113 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -149.63 148.59 26.21 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.607 0.718 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 134.92 28.98 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.651 2.234 . . . . 0.0 112.328 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.04 154.78 18.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.594 0.711 . . . . 0.0 111.102 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 180.0 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.805 0.336 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -95.19 100.13 11.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -160.55 176.11 11.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.08 133.67 43.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.418 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 88.5 p -95.99 -36.75 10.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.2 t -76.31 -37.29 57.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.599 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 27.1 t0 -64.49 91.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.575 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 5.2 mtm105 -63.08 -37.33 86.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.3 t -66.8 -3.14 6.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -102.67 -28.63 12.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.075 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 41.4 p-90 -127.46 -45.52 1.5 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.51 ' N ' ' O ' ' A' ' 18' ' ' ARG . 23.3 t80 -61.55 110.91 1.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.516 ' O ' ' N ' ' A' ' 25' ' ' PRO . 5.4 mmt -90.59 -3.4 57.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.938 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.503 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 28.65 -91.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.516 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.7 Cg_endo -69.79 78.88 0.99 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.33 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.471 ' CG2' ' HB3' ' A' ' 23' ' ' MET . 32.4 t -155.79 135.46 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.448 ' N ' HG11 ' A' ' 26' ' ' VAL . 62.2 p -96.48 160.91 14.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -52.79 -54.16 38.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -44.47 -44.27 8.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 31' ' ' ALA . 18.2 tt0 -70.93 -63.72 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 30' ' ' GLU . . . -36.86 -39.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 36' ' ' GLN . 13.1 mt-30 -61.22 -52.13 66.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.478 HG21 ' N ' ' A' ' 34' ' ' ARG . 6.2 t -60.08 -23.25 63.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.101 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.478 ' N ' HG21 ' A' ' 33' ' ' THR . 14.4 mtp180 -80.28 -30.38 38.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.7 mt -116.19 14.21 15.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 32' ' ' GLN . 4.3 tp60 -87.98 108.45 19.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.71 -28.09 9.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.441 ' NE2' ' HE1' ' A' ' 42' ' ' MET . 14.1 mm-40 -50.34 162.44 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.784 0.326 . . . . 0.0 110.927 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.63 158.07 4.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 44.4 m170 -71.99 126.84 30.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 128.57 -40.07 1.78 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.441 ' HE1' ' NE2' ' A' ' 38' ' ' GLN . 28.3 ttm -42.43 149.91 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.329 . . . . 0.0 110.868 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -156.17 174.21 15.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.6 pp -174.72 146.37 0.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.0 t -119.01 107.0 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.6 ptt-85 -108.57 172.4 6.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -78.03 120.87 23.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.5 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.811 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.815 0.34 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -122.89 172.62 8.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.4 t -140.92 105.87 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.155 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.535 ' C ' ' CD1' ' A' ' 57' ' ' LEU . 1.5 tm? -90.71 113.34 25.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.6 m -103.26 154.46 19.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.4 m -150.59 154.32 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.7 t -90.81 90.98 8.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.446 ' HG2' ' N ' ' A' ' 62' ' ' ASN . 22.4 tt0 -138.86 151.36 46.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.849 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.446 ' N ' ' HG2' ' A' ' 61' ' ' GLU . 27.3 m-80 58.96 39.81 23.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.862 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.5 t 54.34 28.41 9.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -153.21 179.65 8.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.462 HG12 ' CE1' ' A' ' 67' ' ' HIS . 47.6 t -105.83 98.81 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.8 m -70.51 104.8 2.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.462 ' CE1' HG12 ' A' ' 65' ' ' VAL . 92.0 m-70 -84.13 101.27 11.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -97.76 107.79 20.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.414 HG23 ' N ' ' A' ' 70' ' ' ILE . 88.2 mt -75.15 135.85 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.112 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.436 ' CG2' ' HB3' ' A' ' 78' ' ' PHE . 3.9 mp -102.9 103.44 15.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.164 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -66.35 131.72 46.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.3 t -84.7 116.56 23.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 28.8 mt -84.39 151.59 59.55 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.621 0.724 . . . . 0.0 110.945 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -20.62 34.7 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.257 . . . . 0.0 112.333 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -89.92 42.06 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 44.21 51.44 7.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -143.71 161.77 37.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.566 ' CE2' ' CD2' ' A' ' 88' ' ' LEU . 33.2 m-85 -106.43 157.78 17.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.837 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.3 tttp -142.28 105.95 4.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 7.2 tt -96.9 101.59 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.69 -107.98 2.53 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.492 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -117.01 28.42 8.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.74 0.305 . . . . 0.0 110.842 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -136.88 162.59 32.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -135.26 145.73 47.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.603 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 98.9 m-85 -132.84 -176.4 4.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -87.79 -29.16 21.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.559 ' CE1' ' HB3' ' A' ' 90' ' ' ALA . 3.0 p80 -175.72 -174.94 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.566 ' CD2' ' CE2' ' A' ' 78' ' ' PHE . 3.5 mm? -56.71 -60.29 9.79 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.611 0.719 . . . . 0.0 110.873 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.474 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.7 Cg_endo -69.8 9.87 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.685 2.256 . . . . 0.0 112.34 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.559 ' HB3' ' CE1' ' A' ' 87' ' ' HIS . . . -108.78 -21.32 12.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.603 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.6 pp -98.55 -42.49 7.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.448 ' CD2' HD11 ' A' ' 91' ' ' LEU . 28.4 mt -58.05 -36.19 72.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -72.64 -31.99 65.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -74.9 -22.17 58.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -82.3 -28.46 31.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -47.75 -19.85 0.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 46.0 pt -113.18 -31.07 2.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.114 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 64.9 m170 -96.58 137.98 34.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.529 ' CD2' HG23 ' A' ' 104' ' ' THR . 7.5 m-85 -90.59 116.6 28.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.7 mp -49.42 -68.3 0.19 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -120.91 -65.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.425 HG23 ' CD ' ' A' ' 61' ' ' GLU . 12.9 t -129.49 -6.3 4.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 9.0 t -146.42 174.32 11.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.529 HG23 ' CD2' ' A' ' 99' ' ' TYR . 32.5 p -114.93 176.53 5.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 87.3 mt -83.57 117.15 22.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 44.4 mm -93.48 -69.03 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.92 150.7 26.59 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.658 0.742 . . . . 0.0 110.865 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 133.94 26.82 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.729 2.286 . . . . 0.0 112.336 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -43.77 151.18 0.51 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.575 0.702 . . . . 0.0 111.114 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.165 0 C-N-CA 122.686 2.257 . . . . 0.0 112.364 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.786 0.327 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -108.96 84.16 1.88 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -141.46 174.99 10.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -101.72 116.68 33.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.489 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 8.1 p -79.15 -31.27 43.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.3 m -72.01 -39.4 69.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.536 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 25.9 t70 -65.58 99.86 0.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.567 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 12.8 mtt85 -68.23 -35.9 78.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.3 t -66.03 -4.44 7.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.69 -33.8 10.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.077 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.567 ' CZ2' ' HG3' ' A' ' 18' ' ' ARG . 55.1 p-90 -121.77 -45.18 2.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.509 ' N ' ' O ' ' A' ' 18' ' ' ARG . 8.0 t80 -61.31 110.46 1.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.509 ' O ' ' C ' ' A' ' 24' ' ' GLY . 6.4 mmt -90.73 -3.2 57.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.509 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 29.2 -91.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.484 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.508 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.5 Cg_endo -69.79 78.84 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.646 2.231 . . . . 0.0 112.356 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.423 ' CG2' ' HB3' ' A' ' 23' ' ' MET . 41.0 t -157.61 128.23 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.1 p -87.72 178.41 6.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.447 ' NE ' ' OE1' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -69.82 -44.29 70.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 -179.881 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -57.1 -32.22 66.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 31' ' ' ALA . 17.3 tt0 -80.52 -67.8 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 30' ' ' GLU . . . -34.31 -40.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.478 ' O ' ' N ' ' A' ' 36' ' ' GLN . 11.6 mt-30 -60.19 -53.33 58.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.507 HG23 ' N ' ' A' ' 34' ' ' ARG . 10.4 t -56.84 -24.84 54.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.507 ' N ' HG23 ' A' ' 33' ' ' THR . 15.2 mtp180 -79.05 -31.8 44.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.3 mt -114.01 14.27 18.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 32' ' ' GLN . 0.8 OUTLIER -84.91 108.05 17.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.44 -0.36 85.11 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.464 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -71.09 170.55 12.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.85 0.357 . . . . 0.0 110.856 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.455 ' CZ ' ' HB2' ' A' ' 39' ' ' ARG . 1.0 OUTLIER -57.99 145.95 34.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 47.0 m170 -69.43 119.73 14.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 131.91 -26.34 3.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.461 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 29.8 ttm -53.96 149.64 8.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.438 ' CB ' HG21 ' A' ' 59' ' ' VAL . 15.3 p90 -155.27 165.49 36.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.408 ' HB2' ' CG ' ' A' ' 23' ' ' MET . 4.4 pp -168.8 152.72 5.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 40.5 t -123.14 117.26 51.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.412 ' NH2' ' CA ' ' A' ' 28' ' ' ARG . 6.7 ptt85 -119.83 177.07 5.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -77.65 117.39 19.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.769 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.827 0.346 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -131.5 165.9 22.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.8 t -138.49 110.77 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.103 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.422 ' C ' ' CD2' ' A' ' 57' ' ' LEU . 5.7 tt -83.38 108.51 16.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.4 m -86.39 118.54 25.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.438 HG21 ' CB ' ' A' ' 43' ' ' PHE . 1.1 t -122.68 145.31 29.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.1 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.3 t -92.38 108.69 20.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.432 ' CG ' ' CG2' ' A' ' 102' ' ' THR . 19.8 tt0 -153.44 150.71 29.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 58.86 47.31 12.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 72.3 m 45.87 37.23 3.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.97 176.64 12.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.839 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 38.9 t -104.93 97.06 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 59' ' ' VAL . 18.6 m -69.87 148.55 48.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -124.4 91.74 3.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.571 ' CE2' HD11 ' A' ' 100' ' ' LEU . 38.8 m-85 -85.34 99.63 11.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 96.2 mt -67.52 142.92 15.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.0 mp -118.48 108.53 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -67.02 144.07 56.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.7 t -102.89 105.48 15.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.886 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 19.8 mt -79.58 142.84 58.09 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.628 0.728 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -1.92 9.28 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.656 2.237 . . . . 0.0 112.365 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -100.79 46.76 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? 42.18 43.49 2.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -147.93 160.5 42.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -113.47 157.3 22.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -138.23 105.38 5.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.3 tt -88.82 101.25 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 76.12 -103.79 1.74 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.527 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -119.62 18.05 12.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.765 0.317 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 -125.46 156.46 38.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -127.63 151.66 48.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.57 ' CD2' ' HB2' ' A' ' 91' ' ' LEU . 98.4 m-85 -141.32 167.16 22.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -64.13 -32.21 73.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.569 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 2.9 p80 -175.98 -174.99 0.69 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.483 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 8.7 mt -56.55 -60.11 10.2 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.623 0.725 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 54.0 Cg_endo -69.76 10.01 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.632 2.222 . . . . 0.0 112.378 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.569 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -110.04 -21.43 12.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.081 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.57 ' HB2' ' CD2' ' A' ' 85' ' ' PHE . 3.1 pp -89.51 -40.9 12.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 18.8 mt -60.77 -34.87 75.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.455 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 5.5 pt-20 -70.35 -24.63 63.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -85.92 -22.87 27.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -84.31 -21.74 30.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.455 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 18.6 mtpt -53.91 -20.58 6.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.432 HG13 ' N ' ' A' ' 98' ' ' HIS . 41.0 pt -111.24 -34.08 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.432 ' N ' HG13 ' A' ' 97' ' ' ILE . 51.4 m170 -90.26 134.75 34.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.548 ' CD2' HG23 ' A' ' 104' ' ' THR . 27.3 m-85 -86.5 114.42 23.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.571 HD11 ' CE2' ' A' ' 68' ' ' TYR . 11.1 mt -49.03 -74.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -114.62 -62.88 1.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.432 ' CG2' ' CG ' ' A' ' 61' ' ' GLU . 2.5 t -133.21 -1.23 3.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.2 t -150.37 179.42 8.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.548 HG23 ' CD2' ' A' ' 99' ' ' TYR . 38.5 p -120.45 177.72 4.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 86.4 mt -85.87 103.88 15.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.5 mm -80.99 -71.97 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -145.71 146.1 27.95 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.621 0.724 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 133.55 25.68 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.686 2.257 . . . . 0.0 112.323 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -39.56 153.27 0.19 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.557 0.694 . . . . 0.0 111.104 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.167 0 C-N-CA 122.683 2.255 . . . . 0.0 112.353 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.754 0.312 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -128.57 108.04 10.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -171.88 172.97 4.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -105.14 87.13 2.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.501 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 36.4 m -47.85 -24.61 1.04 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.1 p -80.49 -39.05 28.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.849 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.602 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 7.8 t70 -64.05 94.94 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.571 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 5.5 mtm105 -62.72 -32.24 73.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.0 t -73.67 6.65 2.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -116.72 -25.63 7.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.144 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.602 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 52.8 p-90 -130.41 -41.42 1.22 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.483 ' HB2' ' CZ3' ' A' ' 21' ' ' TRP . 9.2 t80 -69.95 100.75 1.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.641 ' O ' ' C ' ' A' ' 24' ' ' GLY . 4.5 mmt -88.93 8.68 28.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.641 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 10.05 -84.14 0.0 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.515 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.524 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.7 Cg_endo -69.73 76.57 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 2.229 . . . . 0.0 112.369 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.465 HG13 ' CB ' ' A' ' 46' ' ' ARG . 0.3 OUTLIER -145.92 138.49 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.7 m -81.87 142.45 32.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.3 ttt85 -48.35 -52.28 22.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -52.62 -31.5 36.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 32' ' ' GLN . 5.7 tt0 -72.85 -70.63 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 30' ' ' GLU . . . -36.61 -28.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 30' ' ' GLU . 4.2 mt-30 -74.28 -52.44 12.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.5 t -61.55 -23.77 66.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -80.15 -27.27 39.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.464 ' CD1' HD22 ' A' ' 44' ' ' LEU . 13.8 mt -112.78 9.43 19.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -86.89 111.81 21.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.65 -26.55 5.8 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.462 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -48.98 160.16 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.78 152.08 4.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 60.2 m170 -71.4 114.22 9.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.811 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 140.63 -27.24 2.49 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.442 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 32.4 ttm -58.52 146.98 33.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.74 0.305 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.434 ' CE1' HD22 ' A' ' 92' ' ' LEU . 3.8 p90 -156.34 171.99 19.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.868 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.464 HD22 ' CD1' ' A' ' 35' ' ' LEU . 4.2 pp -174.38 145.85 1.02 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.6 t -107.62 118.77 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.465 ' CB ' HG13 ' A' ' 26' ' ' VAL . 1.5 ptm180 -117.48 175.7 5.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -85.99 127.45 34.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.815 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.873 0.368 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -125.53 163.87 21.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.453 ' CG1' ' NH1' ' A' ' 46' ' ' ARG . 37.7 t -130.19 118.35 43.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.147 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.514 ' O ' ' CD1' ' A' ' 57' ' ' LEU . 2.5 tm? -92.18 101.24 13.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.44 ' CB ' ' CD1' ' A' ' 35' ' ' LEU . 4.6 m -83.6 121.47 27.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.458 HG22 ' CD1' ' A' ' 57' ' ' LEU . 1.7 t -125.74 150.65 31.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.133 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.0 t -97.7 106.27 18.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.452 ' CG ' HG22 ' A' ' 102' ' ' THR . 8.1 tt0 -155.6 142.08 18.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 61.8 53.22 3.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.0 m 41.65 33.52 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -153.81 178.02 10.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.53 HG11 ' CE1' ' A' ' 67' ' ' HIS . 38.8 t -103.4 99.8 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 59' ' ' VAL . 37.4 m -70.1 88.35 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.53 ' CE1' HG11 ' A' ' 65' ' ' VAL . 96.7 m-70 -75.2 104.32 5.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.858 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -100.06 96.69 7.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.943 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 98.0 mt -57.33 146.53 6.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.409 ' CG2' ' HB3' ' A' ' 78' ' ' PHE . 5.4 mp -120.71 107.59 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.141 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -69.94 140.77 53.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.6 t -96.59 107.0 19.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 33.1 mt -76.79 151.26 82.26 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.583 0.706 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -16.85 37.86 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.737 2.291 . . . . 0.0 112.341 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -92.7 41.84 1.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 31.7 mtt85 45.15 44.69 8.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -135.74 163.58 29.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.417 ' CE2' ' HG ' ' A' ' 88' ' ' LEU . 60.6 m-85 -115.4 139.5 49.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.5 tttm -122.94 104.12 9.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.9 tt -94.04 102.97 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.98 -108.98 2.77 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.502 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -118.08 22.38 12.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.756 0.312 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -129.66 161.02 31.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -132.16 144.2 50.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.571 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 98.4 m-85 -131.45 175.3 9.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -71.57 -31.39 66.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.566 ' CE1' ' HB3' ' A' ' 90' ' ' ALA . 2.9 p80 -175.93 -175.05 0.7 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.486 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 8.7 mt -56.64 -60.09 10.33 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.573 0.702 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.0 Cg_endo -69.82 9.7 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.66 2.24 . . . . 0.0 112.29 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.566 ' HB3' ' CE1' ' A' ' 87' ' ' HIS . . . -109.31 -23.02 11.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.083 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.571 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.2 pp -89.09 -40.83 12.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.434 HD22 ' CE1' ' A' ' 43' ' ' PHE . 11.2 mt -61.24 -35.66 77.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.405 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 6.6 pt-20 -70.71 -24.76 62.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.508 ' CE2' ' CE1' ' A' ' 98' ' ' HIS . 22.4 t80 -86.72 -15.93 37.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.557 ' CE1' HD21 ' A' ' 100' ' ' LEU . 3.5 m-85 -91.28 -23.1 20.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.405 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 7.2 mtpm? -52.14 -21.66 3.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.943 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.426 HG13 ' N ' ' A' ' 98' ' ' HIS . 48.0 pt -109.17 -33.1 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.508 ' CE1' ' CE2' ' A' ' 94' ' ' PHE . 63.6 m170 -88.11 139.43 30.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.561 ' CD2' HG22 ' A' ' 104' ' ' THR . 11.3 m-85 -92.95 113.95 26.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.557 HD21 ' CE1' ' A' ' 95' ' ' TYR . 5.7 mt -50.39 -69.2 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.848 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -121.55 -62.15 1.45 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.452 HG22 ' CG ' ' A' ' 61' ' ' GLU . 13.5 t -129.12 -7.34 4.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.152 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 4.1 t -148.78 179.1 8.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.561 HG22 ' CD2' ' A' ' 99' ' ' TYR . 27.1 p -122.49 -179.59 4.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.0 mt -86.25 109.42 18.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 25.8 mm -87.86 -71.1 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -146.74 147.87 31.44 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.65 0.738 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 144.8 55.18 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.673 2.249 . . . . 0.0 112.378 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -47.19 161.17 0.32 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.606 0.717 . . . . 0.0 111.088 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.17 0 C-N-CA 122.674 2.249 . . . . 0.0 112.364 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.789 0.328 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -106.58 96.88 6.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -150.22 166.31 30.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -85.89 103.94 15.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.43 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 14.0 p -67.55 -32.17 72.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.5 p -76.92 -38.81 52.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.567 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 25.1 t70 -60.4 92.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.565 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 21.6 mtm180 -64.38 -36.3 83.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.4 t -67.86 -1.2 5.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.41 ' CB ' ' OD2' ' A' ' 17' ' ' ASP . . . -105.12 -27.16 11.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.069 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.567 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 55.1 p-90 -129.26 -44.74 1.25 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.494 ' N ' ' O ' ' A' ' 18' ' ' ARG . 12.3 t80 -61.31 106.69 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.957 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.508 ' O ' ' C ' ' A' ' 24' ' ' GLY . 5.0 mmt -84.62 -4.19 58.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.508 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 29.0 -91.68 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.498 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.503 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.9 Cg_endo -69.77 78.97 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.631 2.221 . . . . 0.0 112.392 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.473 ' CG2' ' HB3' ' A' ' 23' ' ' MET . 25.1 t -154.35 142.08 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.473 ' N ' HG13 ' A' ' 26' ' ' VAL . 65.4 m -105.84 151.71 24.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -41.94 -48.51 4.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -50.52 -48.63 57.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 31' ' ' ALA . 13.7 tt0 -65.51 -66.65 0.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 30' ' ' GLU . . . -33.58 -37.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.083 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 36' ' ' GLN . 5.3 mt-30 -63.83 -53.46 50.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.941 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.473 HG22 ' N ' ' A' ' 34' ' ' ARG . 6.4 t -60.37 -25.79 66.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.473 ' N ' HG22 ' A' ' 33' ' ' THR . 7.1 mtt180 -78.61 -28.0 45.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.402 ' CD1' HD21 ' A' ' 44' ' ' LEU . 21.6 mt -117.66 13.96 14.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 32' ' ' GLN . 0.4 OUTLIER -85.08 117.67 24.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.917 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.84 17.09 74.97 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -88.8 173.1 8.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.903 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.1 ptm85 -62.83 144.01 57.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.816 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 56.3 m170 -64.67 124.85 22.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.83 -30.38 4.64 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.489 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.5 ttm -52.72 138.37 29.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.462 ' CB ' HG23 ' A' ' 59' ' ' VAL . 3.2 p90 -143.52 169.9 16.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.467 ' CD1' ' HG3' ' A' ' 23' ' ' MET . 3.2 pp -168.81 143.67 3.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 26.0 t -116.05 114.85 47.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.12 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.421 ' NH1' ' O ' ' A' ' 26' ' ' VAL . 16.2 ptt85 -117.74 163.43 16.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -70.52 123.22 21.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.798 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.866 0.365 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -139.73 161.92 36.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.5 t -131.38 112.65 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.475 ' CD1' HG21 ' A' ' 59' ' ' VAL . 2.5 tm? -88.99 100.41 13.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.6 m -84.66 123.76 30.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.475 HG21 ' CD1' ' A' ' 57' ' ' LEU . 0.9 OUTLIER -124.35 142.25 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.173 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.0 t -89.56 116.47 27.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.555 ' CG ' ' CG2' ' A' ' 102' ' ' THR . 17.0 tp10 -167.7 154.28 7.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 48.3 m-20 60.54 44.91 11.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.3 m 46.27 32.35 1.48 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.7 ptt-85 -151.44 -177.99 6.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 97.4 t -108.57 100.36 10.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 59' ' ' VAL . 5.0 m -69.19 141.26 54.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -123.06 95.55 4.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -96.76 100.63 12.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.462 HG22 ' N ' ' A' ' 70' ' ' ILE . 88.5 mt -67.31 142.55 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.133 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.474 ' CG2' ' HB3' ' A' ' 78' ' ' PHE . 4.7 mp -115.39 105.05 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -64.87 140.62 58.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.7 t -97.95 107.02 19.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.438 ' CB ' ' OD1' ' A' ' 75' ' ' ASN . 53.5 mt -79.41 150.51 73.75 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.618 0.723 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -13.61 34.9 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.265 . . . . 0.0 112.374 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.438 ' OD1' ' CB ' ' A' ' 73' ' ' LEU . 4.1 p30 -94.02 40.97 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? 45.27 38.85 3.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -132.21 150.95 52.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.474 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 57.8 m-85 -105.66 138.98 40.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -123.91 104.9 9.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 7.7 tt -97.57 104.08 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.21 -109.72 2.86 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -117.06 27.74 8.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.764 0.316 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -134.09 162.3 32.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -138.62 139.7 38.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.653 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 93.2 m-85 -129.05 174.36 9.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -69.51 -36.39 76.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.452 ' ND1' ' HB2' ' A' ' 90' ' ' ALA . 2.6 p80 -170.7 -175.02 1.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.49 ' C ' ' H ' ' A' ' 90' ' ' ALA . 8.7 mt -56.05 -60.46 8.79 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.604 0.716 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.5 Cg_endo -69.76 15.23 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.722 2.282 . . . . 0.0 112.332 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.49 ' H ' ' C ' ' A' ' 88' ' ' LEU . . . -114.15 -24.22 9.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.653 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.6 pp -87.76 -41.83 13.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.453 ' N ' HD11 ' A' ' 91' ' ' LEU . 24.2 mt -56.9 -35.84 69.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -72.63 -33.15 66.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -75.92 -23.78 55.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -80.22 -18.86 48.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -53.13 -21.33 4.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.441 HG13 ' N ' ' A' ' 98' ' ' HIS . 46.2 pt -111.72 -33.81 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.131 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.441 ' N ' HG13 ' A' ' 97' ' ' ILE . 50.3 m170 -90.98 128.92 37.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.56 ' CD2' HG23 ' A' ' 104' ' ' THR . 21.9 m-85 -85.05 113.78 21.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.1 mp -44.49 -62.63 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -127.67 -64.78 0.96 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.555 ' CG2' ' CG ' ' A' ' 61' ' ' GLU . 13.6 t -130.8 -5.39 4.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.449 ' CG2' ' OE1' ' A' ' 61' ' ' GLU . 6.0 t -147.24 170.71 16.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.56 HG23 ' CD2' ' A' ' 99' ' ' TYR . 3.1 p -112.8 178.15 4.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.161 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.423 ' CD1' HD23 ' A' ' 92' ' ' LEU . 83.2 mt -81.76 123.2 28.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 31.6 mm -100.64 -65.92 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -155.66 150.65 20.75 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.678 0.751 . . . . 0.0 110.827 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 139.47 40.39 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.673 2.249 . . . . 0.0 112.36 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.06 162.73 2.68 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.607 0.718 . . . . 0.0 111.076 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.195 0 C-N-CA 122.679 2.252 . . . . 0.0 112.355 179.978 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.821 0.343 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.2 tpp180 -102.4 94.27 5.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.563 ' CE1' ' HE2' ' A' ' 96' ' ' LYS . 26.3 p90 -153.22 164.76 37.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -93.43 93.46 8.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.417 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 4.9 m -59.05 -18.36 34.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.4 m -84.3 -38.91 19.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.824 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.601 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 44.3 t0 -62.6 91.83 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.558 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 12.1 mtp180 -61.42 -35.63 78.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 t -71.67 5.08 2.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.41 ' H ' ' C ' ' A' ' 18' ' ' ARG . . . -115.48 -25.59 7.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.601 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 61.5 p-90 -130.16 -42.15 1.23 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.938 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.569 ' HB2' ' CZ3' ' A' ' 21' ' ' TRP . 22.5 t80 -69.0 104.42 2.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.531 ' O ' ' N ' ' A' ' 25' ' ' PRO . 4.7 mmt -86.37 -6.4 58.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.524 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 27.54 -90.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.422 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.531 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.6 Cg_endo -69.84 79.22 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.311 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.501 ' CG2' ' HB3' ' A' ' 23' ' ' MET . 9.7 t -150.77 125.54 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.1 t -75.98 151.88 37.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.4 ttt85 -52.36 -49.29 64.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -55.05 -32.66 62.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 32' ' ' GLN . 13.4 tt0 -75.49 -69.15 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 30' ' ' GLU . . . -37.08 -30.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 30' ' ' GLU . 4.9 mt-30 -69.57 -50.38 45.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 30' ' ' GLU . 1.0 OUTLIER -64.79 -21.09 66.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -77.39 -29.24 53.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.826 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.416 ' CD2' ' HG2' ' A' ' 42' ' ' MET . 12.4 mt -116.1 5.18 13.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -80.79 113.81 19.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.82 -27.73 7.81 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -52.82 164.63 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.857 0.36 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.41 151.53 23.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.402 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 39.8 m170 -67.09 125.47 26.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 131.35 -40.55 1.62 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.47 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.416 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 29.0 ttm -45.43 146.92 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.818 0.342 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -150.21 173.92 13.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.484 ' C ' ' CD1' ' A' ' 44' ' ' LEU . 1.2 pp -173.88 146.06 1.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.5 t -118.67 113.12 40.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.5 ptt85 -117.38 176.15 5.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -79.8 127.74 32.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.452 ' CB ' ' HB3' ' A' ' 54' ' ' ASP . 46.1 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.797 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.452 ' HB3' ' CB ' ' A' ' 48' ' ' SER . 1.6 t70 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.867 0.365 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -135.06 162.59 32.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.451 ' CG1' ' HB3' ' A' ' 67' ' ' HIS . 96.5 t -139.86 106.67 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.7 tp -76.37 104.31 6.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.443 ' HB3' ' CG1' ' A' ' 65' ' ' VAL . 51.0 m -94.77 127.04 40.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.6 m -130.2 155.83 41.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.155 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.3 t -93.88 116.72 29.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.517 ' CG ' ' CG2' ' A' ' 102' ' ' THR . 7.9 tp10 -168.47 145.5 3.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 63.28 32.07 15.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.8 t 60.55 27.48 17.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.37 -179.07 6.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.443 ' CG1' ' HB3' ' A' ' 58' ' ' SER . 48.7 t -113.9 104.21 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.108 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.9 m -73.95 110.98 8.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.451 ' HB3' ' CG1' ' A' ' 56' ' ' VAL . 94.7 m-70 -92.08 97.99 11.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -91.47 100.16 12.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 67.6 mt -63.57 129.85 27.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.126 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.9 mp -107.32 109.66 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 79' ' ' LYS . 30.4 m120 -76.61 129.28 36.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.7 t -90.69 106.15 18.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.495 ' HB2' ' ND2' ' A' ' 75' ' ' ASN . 21.0 mt -73.15 144.84 85.2 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.573 0.701 . . . . 0.0 110.936 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -2.13 9.64 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.718 2.278 . . . . 0.0 112.32 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.495 ' ND2' ' HB2' ' A' ' 73' ' ' LEU . 0.6 OUTLIER -98.1 44.24 1.04 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.405 ' HD2' ' N ' ' A' ' 76' ' ' ARG . 1.3 mpt_? 49.77 31.39 4.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 73' ' ' LEU . 6.8 mpt_? -144.1 163.22 34.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -111.48 -178.23 3.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 71' ' ' ASN . 13.0 tttp -158.83 105.23 1.78 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.9 tt -87.99 100.62 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.179 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.34 -99.94 0.93 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.497 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -121.65 24.83 9.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.757 0.313 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -129.33 157.61 41.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -129.48 151.97 49.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.579 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 97.9 m-85 -147.31 163.02 37.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.65 -33.62 68.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.55 ' CE1' ' HB3' ' A' ' 90' ' ' ALA . 2.1 p80 -176.04 -174.98 0.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.514 ' C ' ' H ' ' A' ' 90' ' ' ALA . 9.3 mt -55.28 -58.99 12.27 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 54.5 Cg_endo -69.71 21.65 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.674 2.25 . . . . 0.0 112.382 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.55 ' HB3' ' CE1' ' A' ' 87' ' ' HIS . . . -119.67 -33.88 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.579 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.9 pp -77.65 -43.11 32.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.45 ' N ' HD11 ' A' ' 91' ' ' LEU . 13.7 mt -58.59 -44.81 89.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -62.05 -34.76 76.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.591 ' CE2' ' CE1' ' A' ' 98' ' ' HIS . 42.2 t80 -73.55 -28.06 61.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.427 ' CD1' HD22 ' A' ' 100' ' ' LEU . 3.2 m-85 -76.51 -14.76 60.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.563 ' HE2' ' CE1' ' A' ' 13' ' ' PHE . 69.3 mttt -54.55 -20.28 7.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.445 HG13 ' N ' ' A' ' 98' ' ' HIS . 43.4 pt -114.99 -34.0 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.181 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.591 ' CE1' ' CE2' ' A' ' 94' ' ' PHE . 61.3 m170 -87.0 128.34 35.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.55 ' CD2' HG23 ' A' ' 104' ' ' THR . 23.0 m-85 -84.09 113.43 21.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.427 HD22 ' CD1' ' A' ' 95' ' ' TYR . 10.4 mt -47.15 -68.45 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -120.78 -66.56 1.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.517 ' CG2' ' CG ' ' A' ' 61' ' ' GLU . 14.1 t -129.02 -7.05 4.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.1 t -145.3 170.73 15.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.197 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.55 HG23 ' CD2' ' A' ' 99' ' ' TYR . 7.7 p -111.01 -177.23 3.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.182 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 99.5 mt -90.27 118.26 29.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 28.8 mm -96.47 -68.2 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -152.74 147.79 19.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.611 0.719 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 137.23 34.99 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.654 2.236 . . . . 0.0 112.35 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -45.95 151.43 0.88 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.591 0.71 . . . . 0.0 111.101 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.169 0 C-N-CA 122.719 2.279 . . . . 0.0 112.353 -179.983 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.804 0.335 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -108.55 92.0 3.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.511 ' CD1' ' O ' ' A' ' 106' ' ' ILE . 53.1 p90 -149.44 168.39 23.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -87.6 128.44 35.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.501 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 18.6 p -94.42 -24.48 17.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.81 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.7 p -81.63 -39.18 24.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.578 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 32.9 t0 -60.42 91.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.552 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 19.3 mtt180 -59.55 -32.81 70.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.8 t -73.28 3.95 5.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.27 -27.2 8.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.092 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.578 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 46.2 p-90 -128.12 -42.27 1.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.567 ' HB2' ' CZ3' ' A' ' 21' ' ' TRP . 37.4 t80 -75.35 104.76 6.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.637 ' O ' ' C ' ' A' ' 24' ' ' GLY . 3.0 mmt -90.25 12.49 17.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.895 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.637 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 10.91 -83.07 0.0 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.478 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.557 ' N ' ' O ' ' A' ' 23' ' ' MET . 54.4 Cg_endo -69.7 77.11 1.07 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.691 2.261 . . . . 0.0 112.374 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.471 ' CG2' ' HB3' ' A' ' 23' ' ' MET . 2.5 t -146.56 144.46 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 46.5 m -90.61 152.04 21.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -56.18 -47.93 77.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.404 ' HG3' ' N ' ' A' ' 30' ' ' GLU . 8.2 pt20 -60.85 -32.38 71.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 32' ' ' GLN . 11.9 tt0 -69.64 -70.22 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.455 ' CB ' ' CD ' ' A' ' 46' ' ' ARG . . . -35.62 -31.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.069 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.5 ' O ' ' N ' ' A' ' 36' ' ' GLN . 6.8 mt-30 -69.26 -48.23 62.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.49 HG22 ' N ' ' A' ' 34' ' ' ARG . 12.8 t -61.08 -25.46 66.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.49 ' N ' HG22 ' A' ' 33' ' ' THR . 2.0 mtp-105 -80.94 -33.42 34.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.1 mt -107.96 8.54 28.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 32' ' ' GLN . 2.9 tp60 -87.37 112.63 22.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.36 -8.26 58.83 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.519 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -67.05 164.14 18.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.823 0.344 . . . . 0.0 110.933 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -56.83 138.06 53.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -57.19 122.4 12.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 132.97 -45.17 1.14 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 35.0 ttm -38.43 152.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -157.75 170.24 22.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.443 ' C ' ' CD1' ' A' ' 44' ' ' LEU . 2.6 pp -174.59 147.38 1.08 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 23' ' ' MET . 14.4 t -112.39 105.8 19.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.455 ' CD ' ' CB ' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -105.2 174.39 5.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -68.47 131.12 44.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.44 ' HB3' ' C ' ' A' ' 54' ' ' ASP . 4.9 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.44 ' C ' ' HB3' ' A' ' 48' ' ' SER . 15.0 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.841 0.353 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -145.06 177.86 8.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.406 ' CG1' ' NH1' ' A' ' 46' ' ' ARG . 19.7 t -146.09 117.1 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.155 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.475 ' CB ' HD11 ' A' ' 70' ' ' ILE . 2.2 tm? -99.24 100.88 12.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.1 m -92.91 146.81 23.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.44 ' CG1' HD12 ' A' ' 57' ' ' LEU . 1.8 m -142.6 164.58 17.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.9 t -99.5 112.9 25.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -169.72 158.96 7.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 51.12 51.91 16.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.8 t 40.01 30.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.2 ptt85 -157.25 -176.53 6.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.6 t -109.86 112.33 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.8 m -82.4 94.18 7.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -78.43 103.3 8.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -97.77 91.37 5.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.953 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.513 ' CG2' ' N ' ' A' ' 70' ' ' ILE . 2.3 mm -46.76 160.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.143 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.513 ' N ' ' CG2' ' A' ' 69' ' ' ILE . 4.9 mp -134.18 93.77 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -69.6 135.13 49.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.3 t -88.5 123.01 32.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 34.4 mt -89.86 151.05 44.93 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.618 0.723 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 2.0 3.91 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -111.01 46.03 1.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 42.02 44.05 2.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -140.72 164.84 29.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.68 ' CE2' ' CD2' ' A' ' 88' ' ' LEU . 43.5 m-85 -114.61 156.35 24.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -131.1 103.37 6.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.4 tt -92.89 99.19 9.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.46 -104.4 1.67 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.523 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.33 4.99 14.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.735 0.303 . . . . 0.0 110.854 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -116.42 163.27 16.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -136.54 157.54 46.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.609 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 97.7 m-85 -143.77 -175.13 4.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -84.27 -28.17 27.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.574 ' CE1' ' HB3' ' A' ' 90' ' ' ALA . 3.0 p80 -175.75 -175.01 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.845 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.68 ' CD2' ' CE2' ' A' ' 78' ' ' PHE . 2.8 mm? -57.18 -60.06 10.83 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.566 0.698 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 54.2 Cg_endo -69.74 8.58 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.624 2.216 . . . . 0.0 112.369 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.574 ' HB3' ' CE1' ' A' ' 87' ' ' HIS . . . -106.5 -20.51 13.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.609 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.0 pp -99.69 -39.39 8.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.1 mt -62.3 -35.93 80.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.468 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 7.0 pt-20 -74.65 -25.73 59.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.579 ' CE2' ' CE1' ' A' ' 98' ' ' HIS . 32.2 t80 -83.48 -19.58 35.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.568 ' CD1' HD23 ' A' ' 100' ' ' LEU . 13.3 m-85 -89.88 -22.11 22.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.468 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 24.0 mtpt -50.94 -19.01 0.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.421 HG13 ' N ' ' A' ' 98' ' ' HIS . 46.9 pt -114.53 -33.97 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.579 ' CE1' ' CE2' ' A' ' 94' ' ' PHE . 54.9 m170 -83.49 146.44 28.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.467 ' CD2' HG22 ' A' ' 104' ' ' THR . 19.7 m-85 -100.2 114.47 27.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.568 HD23 ' CD1' ' A' ' 95' ' ' TYR . 6.0 mt -55.43 -68.39 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -118.82 -66.86 1.03 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 5.8 t -128.66 -5.3 5.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 t -150.76 175.07 12.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.467 HG22 ' CD2' ' A' ' 99' ' ' TYR . 11.4 p -119.69 -178.05 3.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 48.8 mt -88.12 118.08 27.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.511 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 30.1 mm -93.85 -65.36 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -150.55 145.13 18.07 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.673 0.749 . . . . 0.0 110.849 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.464 ' HD3' ' CD2' ' A' ' 13' ' ' PHE . 53.0 Cg_endo -69.76 136.35 32.77 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.712 2.275 . . . . 0.0 112.311 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -52.4 149.01 11.01 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.594 0.712 . . . . 0.0 111.092 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.443 ' O ' ' NH1' ' A' ' 34' ' ' ARG . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.14 0 C-N-CA 122.705 2.27 . . . . 0.0 112.35 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.83 0.347 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -110.44 99.32 8.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -171.11 156.92 4.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -95.21 100.65 12.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.0 m -61.73 -9.99 7.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.5 p -90.24 -27.36 19.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.582 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 25.1 t0 -75.47 92.62 2.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.549 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 19.5 mtp180 -60.17 -32.26 70.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -74.95 9.02 2.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -121.03 -26.01 5.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.582 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 61.8 p-90 -129.32 -40.07 1.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.484 ' HB2' ' CZ3' ' A' ' 21' ' ' TRP . 10.3 t80 -73.78 98.92 3.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.949 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.673 ' O ' ' C ' ' A' ' 24' ' ' GLY . 3.5 mmt -94.71 19.86 9.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.673 ' C ' ' O ' ' A' ' 23' ' ' MET . . . -4.22 -71.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.471 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.515 ' N ' ' O ' ' A' ' 23' ' ' MET . 54.0 Cg_endo -69.74 73.35 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.723 2.282 . . . . 0.0 112.346 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.536 ' CG1' ' N ' ' A' ' 27' ' ' SER . 2.8 t -141.67 158.49 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.536 ' N ' ' CG1' ' A' ' 26' ' ' VAL . 69.2 m -111.32 132.81 54.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 27' ' ' SER . 4.1 tpt180 -35.25 -56.8 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -47.14 -41.63 18.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' A' ' 32' ' ' GLN . 9.8 tt0 -65.93 -67.0 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.446 ' CB ' ' HD3' ' A' ' 46' ' ' ARG . . . -35.21 -31.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.089 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' A' ' 30' ' ' GLU . 3.0 mt-30 -72.94 -55.25 6.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.2 t -58.53 -24.97 61.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.0 mtp180 -78.48 -27.64 46.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.443 ' CD2' ' HG2' ' A' ' 42' ' ' MET . 12.7 mt -116.3 9.66 14.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 32' ' ' GLN . 0.8 OUTLIER -83.09 114.61 21.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.97 15.08 62.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.464 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -85.49 161.4 19.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.776 0.322 . . . . 0.0 110.949 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -46.94 132.6 11.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -55.68 125.26 20.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.38 -38.73 2.22 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.48 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.443 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 28.2 ttm -39.47 141.27 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.797 0.332 . . . . 0.0 110.861 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -148.17 169.65 19.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.461 ' CD1' ' HG2' ' A' ' 46' ' ' ARG . 2.3 pp -175.0 148.59 1.03 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.1 t -116.75 114.38 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.461 ' HG2' ' CD1' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -115.83 169.55 9.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -85.34 115.63 23.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.742 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.857 0.36 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -122.39 164.49 17.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.3 t -138.77 105.57 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.085 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.551 ' CD1' ' CG1' ' A' ' 59' ' ' VAL . 2.3 tm? -83.21 107.53 15.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.8 m -97.26 145.69 25.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.551 ' CG1' ' CD1' ' A' ' 57' ' ' LEU . 1.1 m -149.12 151.03 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.123 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.4 t -88.71 104.03 16.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.45 ' HG2' ' N ' ' A' ' 62' ' ' ASN . 7.5 tt0 -150.73 147.17 27.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.867 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.45 ' N ' ' HG2' ' A' ' 61' ' ' GLU . 18.2 m-80 57.77 53.14 7.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.3 m 43.55 29.67 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -151.14 -179.62 7.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 88.6 t -111.13 95.82 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.63 117.84 6.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -98.43 93.96 6.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -89.6 99.33 12.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 78.5 mt -72.06 129.91 35.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.421 ' CG2' ' HB3' ' A' ' 78' ' ' PHE . 3.4 mp -101.61 104.34 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -68.39 134.26 49.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.3 t -86.78 114.09 23.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 47.6 mt -83.22 151.36 62.82 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.609 0.719 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -23.02 31.22 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.37 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -87.79 50.0 1.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 37.61 51.89 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.812 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -147.28 159.19 43.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.594 ' CE2' ' CD2' ' A' ' 88' ' ' LEU . 37.0 m-85 -108.06 158.83 17.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.5 tttt -140.14 105.08 4.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.5 tt -94.9 106.44 18.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.5 -106.71 2.05 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.47 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -118.35 24.02 11.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.78 0.324 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 -134.22 162.33 32.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -131.6 150.06 52.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.634 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 97.2 m-85 -137.22 175.74 9.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -76.26 -32.83 59.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.462 ' ND1' ' HB3' ' A' ' 90' ' ' ALA . 2.2 p80 -175.98 -174.95 0.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.594 ' CD2' ' CE2' ' A' ' 78' ' ' PHE . 3.3 mm? -53.96 -60.78 6.51 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.612 0.72 . . . . 0.0 110.955 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.468 ' CD ' ' CB ' ' A' ' 88' ' ' LEU . 53.8 Cg_endo -69.76 13.31 0.29 Allowed 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.739 2.293 . . . . 0.0 112.376 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.474 ' H ' ' C ' ' A' ' 88' ' ' LEU . . . -111.9 -26.72 8.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.634 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.4 pp -91.52 -40.57 11.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 31.0 mt -58.67 -46.66 86.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -62.65 -29.68 70.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -77.7 -22.7 50.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.418 ' CD1' HD21 ' A' ' 100' ' ' LEU . 10.9 m-85 -93.85 -11.72 30.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.948 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -61.14 -13.85 20.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.477 HG12 ' N ' ' A' ' 98' ' ' HIS . 0.1 OUTLIER -120.02 -29.77 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.477 ' N ' HG12 ' A' ' 97' ' ' ILE . 50.3 m170 -91.35 143.78 26.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.554 ' CD2' HG21 ' A' ' 104' ' ' THR . 2.3 m-85 -94.08 113.61 25.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.954 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.418 HD21 ' CD1' ' A' ' 95' ' ' TYR . 10.0 mt -49.28 -67.82 0.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -119.79 -64.25 1.28 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 5.3 t -129.98 -5.58 4.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.176 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.3 t -147.87 -179.13 6.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.554 HG21 ' CD2' ' A' ' 99' ' ' TYR . 35.6 p -121.46 -177.8 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 91.3 mt -86.78 103.71 15.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 15.5 mm -77.66 -68.72 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -155.02 152.38 25.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.654 0.74 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 129.65 18.0 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.693 2.262 . . . . 0.0 112.322 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -39.9 151.16 0.24 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.582 0.706 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 0.0 112.342 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.805 0.336 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -129.31 98.96 5.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -175.05 176.38 2.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -110.82 100.7 9.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.495 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 55.2 m -57.62 -26.32 61.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.4 p -73.7 -42.37 61.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.534 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 9.9 t0 -65.07 101.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.564 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 5.5 mtt85 -67.72 -36.3 80.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 t -65.77 -3.82 5.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -101.42 -31.34 10.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.564 ' CZ2' ' HG3' ' A' ' 18' ' ' ARG . 57.6 p-90 -124.52 -45.22 1.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.509 ' N ' ' O ' ' A' ' 18' ' ' ARG . 8.3 t80 -58.85 108.19 0.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.504 ' O ' ' N ' ' A' ' 25' ' ' PRO . 6.5 mmt -88.91 -2.77 58.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.834 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.503 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 29.52 -91.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.477 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.504 ' N ' ' O ' ' A' ' 23' ' ' MET . 54.3 Cg_endo -69.71 79.02 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.721 2.281 . . . . 0.0 112.359 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.469 ' CG2' ' HB3' ' A' ' 23' ' ' MET . 42.3 t -157.5 150.94 8.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.437 ' N ' HG13 ' A' ' 26' ' ' VAL . 19.7 m -119.19 169.97 9.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.531 ' HG3' ' CE1' ' A' ' 67' ' ' HIS . 20.6 ttt180 -56.54 -49.39 74.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -46.38 -47.93 18.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 31' ' ' ALA . 12.0 tt0 -73.34 -63.81 1.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' GLU . . . -37.72 -37.08 0.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.501 ' O ' ' N ' ' A' ' 36' ' ' GLN . 8.7 mt-30 -64.91 -51.88 59.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.477 HG22 ' N ' ' A' ' 34' ' ' ARG . 6.1 t -59.89 -23.43 63.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.186 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.477 ' N ' HG22 ' A' ' 33' ' ' THR . 6.7 mtt180 -82.2 -32.53 29.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 29.2 mt -108.22 5.86 26.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.501 ' N ' ' O ' ' A' ' 32' ' ' GLN . 0.7 OUTLIER -83.78 113.68 21.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.6 -29.92 5.15 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.481 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -48.85 162.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 110.949 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.459 ' NH1' ' HB3' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -59.63 160.15 7.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.902 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 41.7 m170 -75.97 120.35 21.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.16 -33.02 2.43 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.55 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 26.0 ttm -53.26 145.53 13.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.808 0.337 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -149.91 169.74 20.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.462 ' CD1' ' HG3' ' A' ' 23' ' ' MET . 1.3 pp -173.12 138.75 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.962 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 43.4 t -112.29 121.22 64.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.2 ptt85 -127.51 164.04 22.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -72.13 123.87 23.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.1 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.798 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.858 0.361 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -131.97 171.5 13.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.2 t -144.14 111.14 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.119 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 tp -85.28 104.06 14.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.97 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.0 m -93.11 130.11 38.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.2 m -136.01 159.57 39.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.3 t -93.58 99.31 11.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -140.94 143.14 34.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 54.42 46.14 25.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.9 m 49.17 34.26 5.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.36 168.91 24.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.9 t -98.5 108.42 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.0 m -82.0 105.71 13.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.531 ' CE1' ' HG3' ' A' ' 28' ' ' ARG . 79.3 m-70 -87.12 93.8 9.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -86.2 102.42 13.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 81.6 mt -62.88 142.17 17.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.153 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.472 ' CG2' ' HB3' ' A' ' 78' ' ' PHE . 5.2 mp -121.17 104.17 14.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -64.95 140.98 58.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 43.6 t -96.72 109.35 22.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.401 HD13 ' CB ' ' A' ' 77' ' ' ARG . 34.8 mt -80.74 148.58 65.63 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.624 0.726 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -22.26 32.39 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.66 2.24 . . . . 0.0 112.368 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -85.14 36.41 0.63 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.1 mtm180 50.06 47.93 22.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.401 ' CB ' HD13 ' A' ' 73' ' ' LEU . 76.0 mtt180 -141.92 156.36 45.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.472 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 81.2 m-85 -111.01 139.21 46.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.0 tttp -121.16 105.14 10.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.9 tt -91.97 103.98 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.64 -107.43 2.2 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.547 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -117.09 24.91 10.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.329 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -132.43 158.22 42.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -131.12 149.5 52.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.541 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 98.5 m-85 -138.64 172.94 12.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -69.54 -31.76 70.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.559 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 3.3 p80 -174.75 -175.01 0.86 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.491 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 8.7 mt -57.73 -59.73 12.13 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.711 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.7 Cg_endo -69.78 11.01 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.653 2.236 . . . . 0.0 112.335 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.559 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -109.56 -23.37 11.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.541 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.4 pp -89.08 -41.79 12.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 16.3 mt -58.81 -36.64 74.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.44 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 6.1 pt-20 -71.59 -24.45 61.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.402 ' CD2' ' HE1' ' A' ' 85' ' ' PHE . 22.1 t80 -87.52 -15.27 38.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.564 ' CD1' HD23 ' A' ' 100' ' ' LEU . 3.1 m-85 -91.36 -22.77 20.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.968 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.44 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 6.8 mtpm? -51.51 -20.23 1.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.905 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.415 HG13 ' N ' ' A' ' 98' ' ' HIS . 46.1 pt -111.3 -32.2 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.415 ' N ' HG13 ' A' ' 97' ' ' ILE . 54.3 m170 -88.76 136.95 32.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.557 ' CD2' HG22 ' A' ' 104' ' ' THR . 12.6 m-85 -89.46 113.75 25.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.958 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.564 HD23 ' CD1' ' A' ' 95' ' ' TYR . 5.6 mt -54.06 -68.34 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -119.34 -66.23 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.1 t -131.77 -3.62 3.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.147 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 5.2 t -149.97 169.43 21.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.557 HG22 ' CD2' ' A' ' 99' ' ' TYR . 66.4 p -109.93 -179.92 3.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.113 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 74.4 mt -88.96 109.7 20.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 31.2 mm -87.04 -71.6 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -147.94 150.44 35.72 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 0.0 110.957 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 147.62 63.8 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.684 2.256 . . . . 0.0 112.358 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.79 157.36 49.94 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.542 0.687 . . . . 0.0 111.119 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.172 0 C-N-CA 122.656 2.237 . . . . 0.0 112.343 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.838 0.352 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -129.37 101.63 6.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 31.6 p90 -166.96 168.19 14.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -99.53 106.22 18.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.484 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 45.6 p -64.06 -34.71 78.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 93.6 p -72.33 -36.34 68.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.58 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 25.1 t70 -68.79 97.22 0.8 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.57 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 13.0 mtm180 -66.69 -37.84 85.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.3 t -65.47 -3.9 5.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -101.38 -27.89 12.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.071 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.58 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 52.8 p-90 -128.95 -46.05 1.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.954 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.519 ' N ' ' O ' ' A' ' 18' ' ' ARG . 10.0 t80 -54.28 111.62 0.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.508 ' O ' ' N ' ' A' ' 25' ' ' PRO . 7.1 mmt -91.52 -10.01 42.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.815 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.504 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 29.37 -92.03 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.508 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.5 Cg_endo -69.8 79.21 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.646 2.231 . . . . 0.0 112.317 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.493 ' CG2' ' HB3' ' A' ' 23' ' ' MET . 16.7 t -152.57 141.02 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.159 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 38.7 m -101.62 151.26 22.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.542 ' CZ ' ' CG ' ' A' ' 67' ' ' HIS . 5.4 tpt180 -44.21 -59.25 2.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.881 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -42.71 -43.27 3.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 31' ' ' ALA . 10.7 tt0 -72.65 -65.62 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.85 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.467 ' CB ' ' HD3' ' A' ' 46' ' ' ARG . . . -34.47 -40.86 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.113 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.488 ' O ' ' N ' ' A' ' 36' ' ' GLN . 6.2 mt-30 -66.27 -55.29 16.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.44 HG21 ' N ' ' A' ' 34' ' ' ARG . 1.5 t -50.78 -21.73 1.79 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.44 ' N ' HG21 ' A' ' 33' ' ' THR . 15.3 mtp180 -84.01 -31.86 25.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.459 ' CD2' ' HG2' ' A' ' 42' ' ' MET . 5.8 mt -114.32 14.23 17.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 32' ' ' GLN . 0.7 OUTLIER -89.58 105.63 17.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.44 -16.21 60.48 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -60.61 169.78 1.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.798 0.332 . . . . 0.0 110.909 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.1 ptp85 -68.84 131.85 45.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -46.63 133.69 10.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.34 -42.8 1.46 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.526 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.459 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 25.4 ttm -45.58 140.21 3.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.77 0.319 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -144.67 171.14 14.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.472 ' CD1' ' HG2' ' A' ' 46' ' ' ARG . 2.9 pp -175.22 148.67 0.99 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 42.4 t -117.37 111.32 34.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.151 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.472 ' HG2' ' CD1' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -115.58 168.41 10.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -63.79 131.31 47.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.828 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.785 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.834 0.35 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -130.24 168.45 16.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.424 HG11 ' NH1' ' A' ' 46' ' ' ARG . 67.2 t -139.95 109.97 3.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.089 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.2 tp -86.57 104.78 16.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.414 ' C ' HG12 ' A' ' 59' ' ' VAL . 67.6 m -90.84 132.15 36.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.414 HG12 ' C ' ' A' ' 58' ' ' SER . 1.6 m -139.93 155.13 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.102 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.1 t -89.92 115.52 27.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.487 ' OE2' ' ND2' ' A' ' 62' ' ' ASN . 3.0 tm-20 -158.35 139.09 12.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.487 ' ND2' ' OE2' ' A' ' 61' ' ' GLU . 1.5 m-80 61.8 50.14 4.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.5 m 45.12 30.86 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -149.03 178.86 8.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.556 HG13 ' CE1' ' A' ' 67' ' ' HIS . 25.4 t -108.45 102.95 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.5 m -77.07 104.24 7.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.556 ' CE1' HG13 ' A' ' 65' ' ' VAL . 62.1 m-70 -90.22 89.38 7.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.836 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -82.0 124.5 29.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 77.3 mt -85.07 140.38 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.135 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.2 mp -118.5 105.3 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -69.65 134.71 49.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.1 t -93.96 99.09 11.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.815 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 19.7 mt -68.78 141.94 93.15 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.635 0.731 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -3.04 11.21 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.646 2.231 . . . . 0.0 112.351 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -97.59 40.72 1.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.462 ' CZ ' ' HA ' ' A' ' 76' ' ' ARG . 3.0 mmp_? 49.07 41.0 18.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -148.49 158.18 43.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.494 ' CD1' ' HA ' ' A' ' 87' ' ' HIS . 1.8 m-85 -108.35 162.83 13.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 34.9 tttt -141.52 105.15 4.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.6 tt -98.42 103.22 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.17 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.49 -106.41 2.11 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.464 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -119.73 22.2 11.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.79 0.329 . . . . 0.0 110.84 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -128.69 166.84 18.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -140.95 145.33 35.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.607 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 99.0 m-85 -134.47 -178.99 5.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -75.83 -32.75 59.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 90' ' ' ALA . 3.2 p80 -172.46 -174.97 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.485 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 8.7 mt -57.62 -60.1 10.93 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.589 0.709 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.9 Cg_endo -69.7 11.86 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.69 2.26 . . . . 0.0 112.39 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.564 ' HB3' ' CE1' ' A' ' 87' ' ' HIS . . . -111.38 -21.85 11.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.607 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.3 pp -89.97 -41.09 11.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.0 mt -61.22 -38.45 86.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -67.44 -27.71 67.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.457 ' CE2' ' CE1' ' A' ' 98' ' ' HIS . 16.0 t80 -82.63 -21.38 35.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.555 ' CD1' HD21 ' A' ' 100' ' ' LEU . 8.7 m-85 -84.82 -22.3 29.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.952 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -49.93 -19.17 0.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 49.8 pt -115.73 -32.1 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.457 ' CE1' ' CE2' ' A' ' 94' ' ' PHE . 58.6 m170 -88.43 130.41 35.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.468 ' CD2' HG21 ' A' ' 104' ' ' THR . 9.7 m-85 -86.47 114.3 23.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.874 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.555 HD21 ' CD1' ' A' ' 95' ' ' TYR . 5.7 mt -53.0 -68.08 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -117.75 -68.25 0.93 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.466 ' CG2' ' HG2' ' A' ' 61' ' ' GLU . 10.3 t -126.48 -10.88 6.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 13.6 t -144.32 179.84 6.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.468 HG21 ' CD2' ' A' ' 99' ' ' TYR . 67.8 p -121.68 -174.87 2.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.183 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 52.2 mt -90.74 113.13 25.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 31.9 mm -93.87 -70.33 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.097 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -144.51 147.08 34.99 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.627 0.727 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 138.41 37.89 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.365 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.416 ' HB1' ' CD2' ' A' ' 35' ' ' LEU . . . -47.47 147.98 2.63 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.631 0.729 . . . . 0.0 111.036 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.191 0 C-N-CA 122.693 2.262 . . . . 0.0 112.379 179.981 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.722 0.296 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -99.63 84.94 3.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.549 ' CE1' ' HE3' ' A' ' 96' ' ' LYS . 52.0 p90 -157.87 155.38 29.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -88.24 121.85 31.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.496 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 77.2 p -78.78 -17.46 55.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 95.6 p -84.63 -37.17 21.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 20' ' ' ALA . 12.0 t0 -60.71 88.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.567 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 14.5 mtm180 -58.55 -34.45 71.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.8 t -71.95 2.82 5.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.49 ' N ' ' OD1' ' A' ' 17' ' ' ASP . . . -112.91 -27.41 8.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.117 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.567 ' CZ2' ' HG3' ' A' ' 18' ' ' ARG . 59.5 p-90 -128.34 -41.22 1.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.467 ' N ' ' CE3' ' A' ' 21' ' ' TRP . 5.5 t80 -67.03 124.72 23.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.668 ' O ' ' C ' ' A' ' 24' ' ' GLY . 3.1 mmt -123.27 18.89 9.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.874 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.668 ' C ' ' O ' ' A' ' 23' ' ' MET . . . -1.19 -73.65 0.0 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.517 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.529 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.3 Cg_endo -69.78 74.5 1.29 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.704 2.269 . . . . 0.0 112.338 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.49 ' CG1' ' N ' ' A' ' 27' ' ' SER . 2.5 t -137.71 155.72 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.49 ' N ' ' CG1' ' A' ' 26' ' ' VAL . 6.1 t -115.53 137.66 51.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 27' ' ' SER . 7.0 tpt180 -36.51 -53.52 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -55.41 -41.54 72.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' SER . 8.9 tt0 -65.25 -72.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 30' ' ' GLU . . . -37.73 -30.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 36' ' ' GLN . 6.1 mt-30 -73.22 -50.0 24.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.465 HG22 ' N ' ' A' ' 34' ' ' ARG . 1.6 t -58.19 -23.9 57.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.465 ' N ' HG22 ' A' ' 33' ' ' THR . 2.0 mtp-105 -81.62 -33.38 31.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.5 mt -107.37 8.16 29.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 32' ' ' GLN . 1.2 tp60 -86.57 113.13 22.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.95 -16.82 19.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.547 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.41 ' CG ' ' O ' ' A' ' 34' ' ' ARG . 11.8 mm100 -60.09 165.93 3.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.744 0.306 . . . . 0.0 110.925 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.82 158.67 6.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 21.6 m170 -76.66 124.25 27.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.844 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 129.61 -33.48 2.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.527 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 34.1 ttm -48.97 146.51 3.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.816 0.341 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -151.07 165.66 33.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.422 ' C ' HD13 ' A' ' 44' ' ' LEU . 3.4 pp -175.09 137.56 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.0 t -104.12 152.3 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.127 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.7 ptt85 -143.7 -178.08 5.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.457 ' O ' ' CG ' ' A' ' 47' ' ' ASP . 1.5 p-10 -95.02 111.96 23.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.81 -179.736 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.807 0.337 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.407 ' CD2' HD13 ' A' ' 88' ' ' LEU . 22.1 m-85 -136.0 -175.63 4.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.5 p -159.94 112.92 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.13 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.0 tp -86.02 105.5 16.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.9 m -91.07 129.53 37.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -136.34 160.06 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.085 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.5 t -97.14 102.28 14.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.535 ' CG ' ' CG2' ' A' ' 102' ' ' THR . 9.2 tt0 -152.65 151.65 30.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.466 ' N ' ' HG2' ' A' ' 61' ' ' GLU . 65.8 m-20 61.34 31.59 19.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.2 t 60.74 33.22 20.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -159.63 178.45 9.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 49.6 t -103.55 106.27 19.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.146 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 48.8 m -76.56 104.73 7.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -86.71 74.48 9.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -68.76 93.71 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 69.0 mt -63.76 123.06 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.151 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.472 ' CG2' ' HB3' ' A' ' 78' ' ' PHE . 4.5 mp -94.74 107.05 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.136 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -66.4 153.04 43.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.7 t -106.08 102.74 12.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.431 ' CB ' ' OD1' ' A' ' 75' ' ' ASN . 32.6 mt -73.54 145.89 85.43 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.575 0.702 . . . . 0.0 110.95 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -16.43 37.36 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.65 2.233 . . . . 0.0 112.318 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.45 ' O ' ' NH1' ' A' ' 77' ' ' ARG . 18.6 p-10 -83.15 35.3 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 53.87 37.0 25.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.45 ' NH1' ' O ' ' A' ' 75' ' ' ASN . 0.8 OUTLIER -143.0 167.52 21.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.913 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.472 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 89.6 m-85 -109.87 162.18 14.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.3 tttp -141.18 105.31 4.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.7 tt -84.55 98.37 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 70.85 -97.66 0.65 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.44 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -120.81 22.28 11.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.749 0.309 . . . . 0.0 110.824 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -131.64 147.56 52.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -119.95 153.98 35.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.613 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 97.9 m-85 -146.24 158.43 43.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -56.99 -29.45 63.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.572 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 3.1 p80 -176.02 -175.0 0.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.818 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.494 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 9.8 mt -57.96 -59.41 13.28 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.59 0.71 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.7 Cg_endo -69.78 9.43 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.249 . . . . 0.0 112.356 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.572 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -107.16 -16.71 14.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.613 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.1 pp -97.93 -41.69 7.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 16.6 mt -58.31 -33.87 69.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -76.61 -24.32 53.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -83.67 -15.2 49.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.559 ' CE1' HD23 ' A' ' 100' ' ' LEU . 5.4 m-85 -92.72 -14.24 28.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.549 ' HE3' ' CE1' ' A' ' 13' ' ' PHE . 36.2 mttp -57.0 -19.77 20.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.883 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.446 HG13 ' N ' ' A' ' 98' ' ' HIS . 42.3 pt -114.33 -34.47 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.446 ' N ' HG13 ' A' ' 97' ' ' ILE . 52.1 m170 -89.21 134.42 34.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.828 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.557 ' CD2' HG22 ' A' ' 104' ' ' THR . 20.5 m-85 -87.81 114.36 24.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.559 HD23 ' CE1' ' A' ' 95' ' ' TYR . 8.1 mt -46.47 -67.09 0.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -126.03 -62.81 1.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.535 ' CG2' ' CG ' ' A' ' 61' ' ' GLU . 8.2 t -128.52 -7.2 5.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.153 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.1 t -150.02 177.26 10.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.137 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.557 HG22 ' CD2' ' A' ' 99' ' ' TYR . 76.1 p -120.41 -178.36 3.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.173 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 86.0 mt -84.91 117.37 23.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 39.7 mm -94.36 -69.51 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -148.51 143.57 17.5 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.596 0.712 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 132.77 24.03 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -46.87 162.43 0.27 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.603 0.716 . . . . 0.0 111.093 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.447 ' O ' ' NH1' ' A' ' 34' ' ' ARG . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.183 0 C-N-CA 122.639 2.226 . . . . 0.0 112.366 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.824 0.345 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.4 tpt85 -127.22 93.82 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -172.64 162.04 5.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -102.52 109.94 21.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.493 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 14.9 m -68.51 -23.7 64.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.3 t -73.57 -32.62 64.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.597 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 16.3 t70 -75.76 98.07 4.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.564 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 23.1 mtt180 -64.1 -39.91 95.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.8 t -64.85 -4.2 4.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.68 -26.55 13.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.077 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.597 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 51.7 p-90 -130.51 -47.03 1.07 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.517 ' N ' ' O ' ' A' ' 18' ' ' ARG . 10.0 t80 -58.01 96.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.954 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.557 ' O ' ' C ' ' A' ' 24' ' ' GLY . 6.6 mtt -99.75 37.1 1.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.557 ' C ' ' O ' ' A' ' 23' ' ' MET . . . -22.07 -67.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 72.07 1.46 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.728 2.285 . . . . 0.0 112.329 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.416 ' CG2' ' HB3' ' A' ' 23' ' ' MET . 15.7 t -148.18 124.72 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -81.19 149.19 29.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.404 ' HB2' ' NH2' ' A' ' 46' ' ' ARG . 11.8 ttm180 -48.43 -58.77 4.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -45.97 -30.23 1.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 32' ' ' GLN . 11.3 tt0 -80.42 -69.29 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 30' ' ' GLU . . . -36.24 -29.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 30' ' ' GLU . 5.3 mt-30 -71.5 -50.65 29.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.471 HG21 ' N ' ' A' ' 34' ' ' ARG . 10.9 t -59.44 -26.06 64.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.471 ' N ' HG21 ' A' ' 33' ' ' THR . 9.0 mtp180 -76.63 -33.62 58.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 mt -112.19 14.48 20.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 32' ' ' GLN . 0.9 OUTLIER -88.5 106.19 18.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.38 -6.65 83.02 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.497 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -69.44 164.44 23.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.751 0.31 . . . . 0.0 110.94 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -58.16 147.66 29.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 56.3 m170 -63.48 117.8 7.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 42' ' ' MET . . . 140.41 -47.18 0.89 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.465 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.405 ' C ' ' O ' ' A' ' 41' ' ' GLY . 17.9 ttm -37.24 143.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.341 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -151.5 162.95 40.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.403 ' C ' ' CD1' ' A' ' 44' ' ' LEU . 1.1 pp -164.36 142.17 6.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 23' ' ' MET . 57.7 t -112.03 114.85 48.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.167 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.404 ' NH2' ' HB2' ' A' ' 28' ' ' ARG . 5.7 ptt85 -120.36 166.64 13.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -65.67 139.06 58.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.812 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.849 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.789 0.328 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -136.13 166.1 24.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 69.7 t -138.72 111.96 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 tp -89.62 100.78 13.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 44.1 m -90.94 126.06 35.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.5 m -133.8 157.9 42.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.117 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.0 t -91.05 101.67 14.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -143.75 144.54 31.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 57.84 53.08 7.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.1 m 45.32 30.94 0.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.8 ptt-85 -156.0 176.61 12.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 39.9 t -99.04 97.03 5.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.5 m -70.11 97.99 1.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.857 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -80.39 104.11 10.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -100.57 97.55 8.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.962 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 93.1 mt -64.78 136.01 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.2 mp -102.74 113.55 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.17 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -75.02 131.64 40.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.2 t -91.08 106.19 18.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.3 mt -82.98 151.38 63.61 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.629 0.728 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -23.97 30.37 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.665 2.243 . . . . 0.0 112.362 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 76' ' ' ARG . 55.7 t30 -78.67 49.32 0.88 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.845 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.438 ' HB3' ' NH1' ' A' ' 76' ' ' ARG . 6.0 mmm180 35.87 42.8 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.2 mtp-105 -144.32 161.95 37.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -110.18 160.79 16.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -141.63 106.12 4.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 15.1 tt -96.62 102.44 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.31 -108.08 2.58 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.537 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -118.11 21.35 12.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.71 0.29 . . . . 0.0 110.811 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -129.4 163.27 26.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -137.85 150.48 47.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.562 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 97.2 m-85 -137.96 -178.47 5.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.858 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -76.89 -29.83 55.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.577 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 2.7 p80 -175.88 -174.99 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.484 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 9.0 mt -56.5 -60.02 10.43 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.57 0.7 . . . . 0.0 110.921 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.2 Cg_endo -69.79 9.1 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.645 2.23 . . . . 0.0 112.346 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.577 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -109.01 -19.47 13.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.562 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.1 pp -94.73 -40.37 9.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.9 mt -64.17 -39.62 94.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.46 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 5.5 pt-20 -65.33 -25.21 67.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.619 ' CE2' ' CE1' ' A' ' 98' ' ' HIS . 31.7 t80 -84.6 -24.49 29.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.541 ' CD1' HD23 ' A' ' 100' ' ' LEU . 17.7 m-85 -84.14 -19.97 33.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.46 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 7.9 mtpm? -53.02 -19.18 2.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.917 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.415 HG13 ' N ' ' A' ' 98' ' ' HIS . 35.7 pt -116.24 -34.96 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.156 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.619 ' CE1' ' CE2' ' A' ' 94' ' ' PHE . 59.0 m170 -85.28 146.27 27.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.824 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.544 ' CD2' HG23 ' A' ' 104' ' ' THR . 3.3 m-85 -96.45 113.94 25.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.541 HD23 ' CD1' ' A' ' 95' ' ' TYR . 8.9 mt -48.77 -66.63 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.939 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -123.6 -63.36 1.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.8 t -127.55 -8.93 5.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 4.4 t -144.46 -175.95 4.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.544 HG23 ' CD2' ' A' ' 99' ' ' TYR . 44.5 p -124.39 -177.21 3.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 70.0 mt -91.81 105.01 17.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 25.5 mm -79.04 -70.75 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -151.32 152.56 31.18 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.586 0.708 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 140.12 41.81 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.637 2.225 . . . . 0.0 112.382 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.408 ' O ' ' CE ' ' A' ' 23' ' ' MET . . . -57.98 151.51 44.3 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.562 0.696 . . . . 0.0 111.087 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.153 0 C-N-CA 122.697 2.264 . . . . 0.0 112.322 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.789 0.328 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -125.25 90.26 3.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.495 ' CE1' ' NZ ' ' A' ' 96' ' ' LYS . 37.7 p90 -148.86 155.8 41.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -83.05 91.36 7.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.49 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 67.7 m -58.68 -24.09 60.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.6 m -77.88 -33.51 52.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.603 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 7.8 t70 -71.51 102.74 2.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.821 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.576 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 6.8 mtm-85 -66.5 -34.18 77.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.2 t -70.52 2.32 4.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.82 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -109.66 -26.2 10.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.082 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.603 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 56.8 p-90 -130.38 -43.55 1.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.448 ' N ' ' CE3' ' A' ' 21' ' ' TRP . 9.8 t80 -64.51 105.66 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.521 ' O ' ' N ' ' A' ' 25' ' ' PRO . 4.5 mmt -88.48 -1.48 58.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.503 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 28.67 -91.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.521 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.5 Cg_endo -69.77 79.49 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.706 2.271 . . . . 0.0 112.341 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.482 ' CG2' ' HB3' ' A' ' 23' ' ' MET . 24.9 t -154.09 130.02 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.9 m -89.79 162.03 15.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.47 ' CA ' ' NH2' ' A' ' 46' ' ' ARG . 19.1 ttp-105 -54.48 -54.28 43.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -46.3 -31.08 2.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.511 ' O ' ' N ' ' A' ' 32' ' ' GLN . 10.4 tt0 -83.0 -70.6 0.54 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 30' ' ' GLU . . . -35.83 -29.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.041 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.511 ' N ' ' O ' ' A' ' 30' ' ' GLU . 5.5 mt-30 -72.52 -53.48 11.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.413 HG23 ' O ' ' A' ' 30' ' ' GLU . 3.9 t -58.27 -23.05 54.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.448 ' NH1' ' O ' ' A' ' 110' ' ' PRO . 1.6 mtp-105 -78.67 -35.71 44.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.432 ' CD2' ' HG2' ' A' ' 42' ' ' MET . 12.3 mt -107.52 4.22 25.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 32' ' ' GLN . 0.7 OUTLIER -82.01 117.65 22.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.25 -21.36 7.17 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.446 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -57.96 169.23 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 110.934 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.23 154.69 34.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -69.59 124.0 22.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 132.6 -39.23 1.77 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.519 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.432 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 23.1 ttm -45.65 143.99 1.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.446 ' CZ ' ' HB3' ' A' ' 108' ' ' PRO . 2.6 p90 -150.36 171.01 17.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.4 ' N ' ' CD1' ' A' ' 43' ' ' PHE . 4.3 pp -174.84 149.25 1.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 30.6 t -120.55 122.67 68.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.47 ' NH2' ' CA ' ' A' ' 28' ' ' ARG . 4.3 ptt85 -125.24 179.82 4.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -82.02 109.87 16.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.6 p . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.743 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.856 0.36 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -117.74 165.55 13.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.945 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 77.1 t -140.72 108.49 2.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.125 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.555 ' C ' ' CD2' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -79.97 106.52 12.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.7 m -97.11 133.52 41.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.472 ' CG1' HD21 ' A' ' 57' ' ' LEU . 1.2 m -143.89 154.2 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.142 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.2 t -88.41 101.39 13.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.407 ' HG2' ' N ' ' A' ' 62' ' ' ASN . 12.5 tt0 -149.77 147.44 28.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.407 ' N ' ' HG2' ' A' ' 61' ' ' GLU . 44.1 m-20 56.74 54.88 6.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.4 t 41.69 30.39 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.2 ptt-85 -155.08 176.52 12.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.1 t -104.42 100.67 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.502 ' OG ' ' CZ ' ' A' ' 68' ' ' TYR . 0.6 OUTLIER -64.42 112.11 2.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.844 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -97.76 82.91 3.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.502 ' CZ ' ' OG ' ' A' ' 66' ' ' SER . 50.9 m-85 -78.79 114.03 17.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.929 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 80.2 mt -73.2 129.08 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.444 ' CD1' ' HB2' ' A' ' 57' ' ' LEU . 3.7 mp -106.17 106.53 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -70.83 140.72 51.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.4 t -100.99 100.65 11.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.816 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 19.4 mt -73.77 145.49 84.34 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.621 0.724 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -4.69 14.53 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.701 2.267 . . . . 0.0 112.354 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -92.25 30.85 1.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 57.01 32.49 21.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -143.26 159.39 42.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -105.25 162.46 13.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 71.4 tttt -135.97 104.98 5.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.8 tt -96.61 97.11 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.15 -108.4 2.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.453 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -118.71 28.12 8.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.793 0.33 . . . . 0.0 110.898 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -137.4 164.98 27.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -134.98 153.55 52.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.574 ' CD1' ' HA ' ' A' ' 91' ' ' LEU . 97.9 m-85 -139.95 169.83 16.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -67.19 -31.3 71.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.611 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 2.2 p80 -177.45 -175.02 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.515 ' C ' ' H ' ' A' ' 90' ' ' ALA . 8.8 mt -56.63 -58.92 14.11 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.628 0.728 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.7 Cg_endo -69.75 21.55 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.677 2.252 . . . . 0.0 112.343 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.611 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -117.92 -39.37 3.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.075 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.574 ' HA ' ' CD1' ' A' ' 85' ' ' PHE . 3.8 pp -73.37 -42.17 62.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.443 ' N ' HD11 ' A' ' 91' ' ' LEU . 13.1 mt -60.0 -38.7 83.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.467 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 2.8 mt-10 -64.8 -28.29 69.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.469 ' CE2' ' CE1' ' A' ' 98' ' ' HIS . 22.0 t80 -86.44 -15.93 38.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.545 ' CD1' HD22 ' A' ' 100' ' ' LEU . 5.9 m-85 -91.41 -24.79 19.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.993 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.495 ' NZ ' ' CE1' ' A' ' 13' ' ' PHE . 12.6 mtpp -49.22 -19.87 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.909 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 50.1 pt -114.87 -31.54 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.136 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.469 ' CE1' ' CE2' ' A' ' 94' ' ' PHE . 52.8 m170 -87.98 144.03 26.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.547 ' CD2' HG22 ' A' ' 104' ' ' THR . 5.2 m-85 -94.35 113.6 25.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.545 HD22 ' CD1' ' A' ' 95' ' ' TYR . 8.0 mt -51.93 -70.2 0.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -115.43 -66.3 1.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.2 t -127.69 -11.45 5.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.175 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 t -140.67 -178.58 5.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.547 HG22 ' CD2' ' A' ' 99' ' ' TYR . 52.0 p -123.45 175.98 6.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 83.3 mt -83.59 110.97 18.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 32.0 mm -87.3 -71.36 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -147.33 141.68 16.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.609 0.719 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.446 ' HB3' ' CZ ' ' A' ' 43' ' ' PHE . 53.6 Cg_endo -69.76 130.21 18.95 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.702 2.268 . . . . 0.0 112.304 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -48.82 149.49 3.12 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.623 0.725 . . . . 0.0 111.075 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.448 ' O ' ' NH1' ' A' ' 34' ' ' ARG . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.185 0 C-N-CA 122.74 2.293 . . . . 0.0 112.334 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.761 0.315 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.2 tpt85 -140.73 106.13 5.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -169.23 174.24 6.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -101.6 86.76 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.826 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.487 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 66.5 m -50.66 -18.05 0.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.5 t -81.19 -42.1 21.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.608 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 11.1 t0 -58.97 89.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.573 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 15.8 mtm180 -57.09 -37.69 72.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.4 t -69.56 0.33 5.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.495 ' N ' ' OD1' ' A' ' 17' ' ' ASP . . . -108.72 -25.86 10.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.078 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.608 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 42.3 p-90 -129.69 -44.54 1.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.482 ' HB2' ' CZ3' ' A' ' 21' ' ' TRP . 15.9 t80 -69.1 97.67 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.888 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.599 ' O ' ' C ' ' A' ' 24' ' ' GLY . 5.1 mtt -98.18 35.06 1.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.599 ' C ' ' O ' ' A' ' 23' ' ' MET . . . -19.56 -69.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 72.42 1.44 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.681 2.254 . . . . 0.0 112.365 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.422 ' CG2' ' HB3' ' A' ' 23' ' ' MET . 9.5 t -147.36 142.18 19.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.113 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.0 m -93.29 153.82 18.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -52.75 -54.91 27.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -50.68 -42.18 56.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 31' ' ' ALA . 9.8 tt0 -64.47 -64.63 0.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 30' ' ' GLU . . . -36.18 -36.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.107 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 36' ' ' GLN . 3.8 mt-30 -65.6 -54.05 33.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.46 HG23 ' N ' ' A' ' 34' ' ' ARG . 4.1 t -57.13 -23.63 48.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.46 ' N ' HG23 ' A' ' 33' ' ' THR . 1.5 mtp-105 -81.09 -34.11 32.88 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.443 ' CD2' ' HG2' ' A' ' 42' ' ' MET . 14.0 mt -113.6 17.4 18.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 32' ' ' GLN . 1.1 tp60 -95.47 111.15 23.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.89 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.28 -22.08 34.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.53 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -60.11 164.1 4.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.784 0.326 . . . . 0.0 110.936 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.91 154.8 11.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 50.8 m170 -70.42 117.54 12.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 139.77 -40.91 1.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.443 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 30.0 ttm -44.86 142.01 1.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -144.84 172.29 13.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.422 ' C ' HD13 ' A' ' 44' ' ' LEU . 3.5 pp -173.38 137.46 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.4 t -106.38 103.6 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -106.2 177.98 4.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -80.01 131.55 35.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.5 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.827 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.765 0.316 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.43 ' CE2' ' CE2' ' A' ' 78' ' ' PHE . 20.5 m-85 -118.03 169.12 9.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.4 t -138.19 108.87 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.7 tp -88.48 102.11 14.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.423 ' C ' HG11 ' A' ' 59' ' ' VAL . 16.4 m -90.74 129.74 36.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.423 HG11 ' C ' ' A' ' 58' ' ' SER . 1.0 OUTLIER -135.31 151.82 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.196 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.8 t -84.54 118.63 24.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.479 ' OE2' ' ND2' ' A' ' 62' ' ' ASN . 2.1 tm-20 -160.68 137.99 9.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.479 ' ND2' ' OE2' ' A' ' 61' ' ' GLU . 2.2 m-80 57.22 52.47 8.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.0 m 46.03 30.63 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.427 ' CG ' ' O ' ' A' ' 61' ' ' GLU . 0.1 OUTLIER -146.03 -178.71 6.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 78.6 t -115.16 96.89 4.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.33 118.13 9.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -97.91 97.76 9.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -90.42 101.89 14.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.944 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 83.0 mt -68.6 137.14 25.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.449 ' CG2' ' HB3' ' A' ' 78' ' ' PHE . 5.3 mp -116.99 107.2 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -71.98 129.53 38.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.6 t -82.82 111.97 19.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.831 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 37.6 mt -78.37 151.05 77.62 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.569 0.7 . . . . 0.0 110.94 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -23.82 30.36 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.656 2.237 . . . . 0.0 112.396 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -86.29 49.52 1.81 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.7 mmm-85 39.5 49.15 1.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -145.52 158.15 43.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.449 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 88.5 m-85 -108.99 154.11 22.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.2 tttt -133.5 102.17 5.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.7 tt -95.04 110.13 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 70.61 -108.41 2.47 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.508 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -118.94 23.35 11.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.731 0.301 . . . . 0.0 110.828 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -131.95 163.98 27.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -136.46 143.23 43.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.594 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 97.5 m-85 -128.69 -179.37 5.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.857 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -81.23 -27.32 35.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 90' ' ' ALA . 3.1 p80 -175.84 -174.99 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.519 ' HB3' ' CH2' ' A' ' 21' ' ' TRP . 3.8 mm? -57.16 -60.19 10.41 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.627 0.727 . . . . 0.0 110.948 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 54.0 Cg_endo -69.72 8.49 0.75 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.688 2.259 . . . . 0.0 112.328 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.564 ' HB3' ' CE1' ' A' ' 87' ' ' HIS . . . -105.93 -16.63 14.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.111 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.594 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 2.7 pp -100.99 -40.04 7.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.0 mt -63.65 -37.2 86.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.947 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -73.18 -26.17 61.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -82.59 -25.74 32.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.4 ' CD1' HD22 ' A' ' 100' ' ' LEU . 6.8 m-85 -81.31 -17.03 50.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.6 mttm -49.22 -21.9 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 48.6 pt -111.97 -32.26 2.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 62.6 m170 -86.63 146.39 26.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.504 ' CG ' HG22 ' A' ' 104' ' ' THR . 2.2 m-85 -101.64 114.65 28.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.4 HD22 ' CD1' ' A' ' 95' ' ' TYR . 5.7 mt -51.84 -66.84 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.957 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -117.94 -67.74 0.97 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.466 HG22 ' CG ' ' A' ' 61' ' ' GLU . 12.9 t -130.68 -3.88 4.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 9.7 t -146.09 175.91 10.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.188 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.504 HG22 ' CG ' ' A' ' 99' ' ' TYR . 81.7 p -116.03 177.29 4.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.125 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.0 mt -86.27 114.5 23.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 24.4 mm -93.16 -70.28 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -149.46 144.09 17.52 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.588 0.709 . . . . 0.0 110.905 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 138.21 37.24 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -50.49 150.9 4.34 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.575 0.703 . . . . 0.0 111.134 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.162 0 C-N-CA 122.66 2.24 . . . . 0.0 112.374 179.994 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.7 p 44.59 45.08 7.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.888 0.375 . . . . 0.0 110.905 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m -108.52 108.36 19.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.69 145.4 8.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.495 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.8 p -171.98 168.29 5.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.893 0.378 . . . . 0.0 110.834 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.2 p -130.36 174.88 9.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.828 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.78 158.78 15.3 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.539 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.6 ttp -98.99 40.86 1.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.9 m -130.41 106.64 8.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.2 m -49.06 -45.25 42.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.863 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.84 108.26 17.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -134.27 79.3 1.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -152.91 151.85 30.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -84.47 119.68 25.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.825 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.421 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 18.6 p -76.64 -34.1 58.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 m -82.58 17.64 1.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.553 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 11.4 t70 -119.28 91.45 3.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.572 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 5.8 mtm-85 -59.54 -34.81 73.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 t -71.48 3.22 4.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.858 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.423 ' N ' ' OD1' ' A' ' 17' ' ' ASP . . . -112.78 -27.02 8.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.113 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.572 ' CZ2' ' HG3' ' A' ' 18' ' ' ARG . 48.2 p-90 -129.34 -41.47 1.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.438 ' N ' ' O ' ' A' ' 18' ' ' ARG . 7.4 t80 -66.05 116.41 7.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.514 ' O ' ' C ' ' A' ' 24' ' ' GLY . 4.6 mmt -96.04 0.67 51.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.514 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 28.96 -91.7 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.439 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.509 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.5 Cg_endo -69.77 78.72 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.7 2.267 . . . . 0.0 112.293 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 23' ' ' MET . 33.0 t -155.42 135.59 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.46 ' N ' HG11 ' A' ' 26' ' ' VAL . 4.8 m -103.69 161.4 13.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.5 ttt85 -49.11 -54.01 18.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -44.2 -43.88 7.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 31' ' ' ALA . 17.2 tt0 -74.8 -67.28 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 30' ' ' GLU . . . -35.39 -40.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.085 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.496 ' O ' ' N ' ' A' ' 36' ' ' GLN . 4.4 mt-30 -61.84 -53.56 54.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.443 HG23 ' N ' ' A' ' 34' ' ' ARG . 1.3 t -59.15 -22.96 61.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.067 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.443 ' N ' HG23 ' A' ' 33' ' ' THR . 10.6 mtp180 -81.39 -30.82 33.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.459 ' CD2' ' HG2' ' A' ' 42' ' ' MET . 15.3 mt -112.05 7.82 19.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 32' ' ' GLN . 1.1 tp60 -84.55 107.17 16.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.98 -15.33 53.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.536 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -59.41 161.31 5.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 110.918 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 4.5 ptp180 -51.39 141.34 15.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 47.2 m170 -61.94 124.71 21.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.41 -30.62 4.22 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.441 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.459 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 31.8 ttm -51.11 144.19 9.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.459 ' CB ' HG22 ' A' ' 59' ' ' VAL . 2.2 p90 -151.05 169.85 20.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.401 ' N ' ' CD1' ' A' ' 43' ' ' PHE . 4.3 pp -171.14 152.11 3.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.7 t -122.53 119.83 59.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.5 ptt-85 -123.79 170.47 10.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -72.66 117.55 14.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.7 t -58.31 152.57 17.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 78.7 p -110.25 -48.48 3.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.817 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.5 p -46.86 -43.53 18.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.7 m -129.31 135.94 28.36 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.608 0.718 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 123.56 10.24 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.684 2.256 . . . . 0.0 112.368 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 102.34 -48.89 1.03 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.527 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -54.27 164.38 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -127.66 170.33 12.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 23.5 t -137.42 113.19 11.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 26.1 tp -90.27 90.54 8.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.3 m -74.72 119.17 18.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.478 ' O ' ' N ' ' A' ' 66' ' ' SER . 2.2 t -118.84 154.63 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.09 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.464 ' N ' ' CG1' ' A' ' 59' ' ' VAL . 11.9 t -102.72 119.69 39.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.448 ' CG ' ' CG2' ' A' ' 102' ' ' THR . 6.8 tp10 -171.98 149.79 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.876 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 60.28 39.31 19.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.0 m 54.79 26.44 7.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -146.22 -177.26 5.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 45.8 t -109.77 100.84 11.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 59' ' ' VAL . 3.9 m -74.09 97.68 2.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -80.15 108.51 13.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.529 ' CE2' HD12 ' A' ' 100' ' ' LEU . 47.6 m-85 -99.56 94.87 6.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.454 HG23 ' N ' ' A' ' 70' ' ' ILE . 88.4 mt -60.22 143.0 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.118 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.455 ' CG2' ' HB3' ' A' ' 78' ' ' PHE . 5.0 mp -118.64 97.56 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -60.11 146.32 43.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.7 t -98.11 102.88 14.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 71.5 mt -74.77 147.71 84.44 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.645 0.736 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -20.59 34.9 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.691 2.261 . . . . 0.0 112.339 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -87.45 38.56 0.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? 48.54 42.55 19.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 69.2 mtt180 -134.6 166.77 22.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.455 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 58.2 m-85 -118.71 136.21 54.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -118.55 101.47 8.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.4 ' CD1' ' HB3' ' A' ' 68' ' ' TYR . 5.5 tt -91.46 98.86 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.109 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.78 -108.54 2.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.516 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -117.84 24.8 10.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.734 0.302 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -131.97 161.55 32.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -134.97 149.94 50.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.569 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 98.9 m-85 -140.22 -178.7 5.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -76.11 -30.28 58.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 2.9 p80 -175.97 -175.03 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.483 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 8.5 mt -56.45 -60.13 10.06 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.614 0.721 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.9 Cg_endo -69.75 9.78 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.565 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -109.94 -16.13 13.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.569 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.0 pp -97.05 -41.03 8.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.413 ' N ' HD12 ' A' ' 91' ' ' LEU . 8.4 mt -61.73 -34.74 76.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.439 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 11.7 pt-20 -71.9 -24.84 61.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.564 ' CE2' ' CE1' ' A' ' 98' ' ' HIS . 29.6 t80 -84.81 -17.47 38.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.546 ' CD1' HD21 ' A' ' 100' ' ' LEU . 10.1 m-85 -92.7 -18.57 22.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.439 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 23.4 mtpt -52.29 -18.72 1.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 48.8 pt -117.2 -33.9 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.564 ' CE1' ' CE2' ' A' ' 94' ' ' PHE . 62.8 m170 -83.84 143.81 29.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.541 ' CD2' HG21 ' A' ' 104' ' ' THR . 6.7 m-85 -95.36 114.59 26.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.546 HD21 ' CD1' ' A' ' 95' ' ' TYR . 6.8 mt -51.02 -68.66 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.938 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -120.96 -64.86 1.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.448 ' CG2' ' CG ' ' A' ' 61' ' ' GLU . 14.2 t -126.21 -8.07 6.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.9 t -146.56 -176.23 5.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.16 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.541 HG21 ' CD2' ' A' ' 99' ' ' TYR . 31.0 p -125.74 174.07 8.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.184 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 41.1 mt -81.1 111.81 17.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.8 mm -87.67 -68.35 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -151.64 151.99 29.59 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.669 0.747 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 143.46 50.5 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.682 2.255 . . . . 0.0 112.348 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -51.33 158.5 1.35 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.566 0.698 . . . . 0.0 111.09 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 111' ' ' ARG . 53.6 Cg_endo -69.75 148.54 65.38 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.724 2.283 . . . . 0.0 112.333 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 110' ' ' PRO . 16.6 mmt180 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 002 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 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 t -99.54 142.22 31.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 110.845 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.7 m -103.08 96.54 6.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.27 -90.84 0.34 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.475 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t 66.05 42.95 3.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 0.0 110.85 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.8 p -141.03 137.93 33.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.839 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.23 116.91 1.18 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.63 86.03 3.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.779 0.324 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.1 m -154.88 120.36 5.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.816 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 11' ' ' ALA . 58.6 m -64.22 159.98 19.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 10' ' ' SER . . . 36.16 51.43 0.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.106 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? -110.43 93.36 4.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -147.83 167.05 25.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -96.02 91.37 5.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.477 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 92.9 p -55.35 -16.46 3.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.807 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.6 t -83.07 -40.95 19.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.555 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 11.9 t0 -59.85 88.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.843 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.558 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 22.7 mtt180 -57.9 -37.24 73.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.5 t -69.61 -0.92 7.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.461 ' N ' ' OD1' ' A' ' 17' ' ' ASP . . . -107.83 -28.05 9.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.558 ' CZ2' ' HG3' ' A' ' 18' ' ' ARG . 60.8 p-90 -127.14 -43.06 1.67 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.479 ' N ' ' O ' ' A' ' 18' ' ' ARG . 20.8 t80 -68.93 113.15 6.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.545 ' O ' ' N ' ' A' ' 25' ' ' PRO . 6.4 mmt -94.46 -3.53 49.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.53 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 26.09 -89.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.545 ' N ' ' O ' ' A' ' 23' ' ' MET . 54.1 Cg_endo -69.75 78.86 0.98 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.629 2.219 . . . . 0.0 112.323 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.492 ' CG2' ' HB3' ' A' ' 23' ' ' MET . 10.5 t -151.65 135.19 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.2 t -82.83 158.76 22.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -60.75 -48.85 79.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -53.5 -33.12 53.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 32' ' ' GLN . 15.7 tt0 -73.85 -68.84 0.48 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 30' ' ' GLU . . . -36.6 -29.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 30' ' ' GLU . 5.0 mt-30 -72.49 -51.21 21.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.468 HG22 ' N ' ' A' ' 34' ' ' ARG . 9.7 t -58.96 -26.17 64.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.153 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.468 ' N ' HG22 ' A' ' 33' ' ' THR . 1.7 mtp-105 -79.39 -32.7 43.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.3 mt -110.02 10.92 24.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.497 ' N ' ' O ' ' A' ' 32' ' ' GLN . 1.5 tp60 -90.52 111.69 23.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.75 -18.34 26.25 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -58.13 172.27 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.76 0.314 . . . . 0.0 110.953 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -66.59 140.98 57.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 56.6 m170 -60.01 124.7 21.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 132.13 -35.27 2.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.485 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 30.0 ttm -53.11 147.11 10.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.859 0.362 . . . . 0.0 110.836 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -154.83 170.93 20.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.1 pp -169.14 155.13 6.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.467 ' O ' ' CD1' ' A' ' 22' ' ' TYR . 20.1 t -126.14 108.44 19.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.0 ptt-85 -114.36 173.91 6.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -76.54 123.84 26.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 4.8 t -68.31 117.73 10.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 50' ' ' THR . 52.3 m -74.46 -50.42 18.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 49' ' ' SER . 29.7 p -35.12 -40.77 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.141 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 13.1 m -158.0 143.42 12.28 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.601 0.715 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 151.19 69.16 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.739 2.293 . . . . 0.0 112.341 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.52 -36.88 3.19 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.523 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' A' ' 48' ' ' SER . 5.1 m-20 -79.53 152.11 30.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.354 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -125.23 166.76 15.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.3 t -134.66 119.43 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.451 ' CB ' HD12 ' A' ' 70' ' ' ILE . 26.6 tp -93.05 89.13 6.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.4 m -77.49 117.64 19.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.456 HG23 ' N ' ' A' ' 60' ' ' SER . 0.1 OUTLIER -130.12 141.25 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.106 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.456 ' N ' HG23 ' A' ' 59' ' ' VAL . 42.5 t -79.6 118.27 21.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.488 ' OE2' ' CG2' ' A' ' 102' ' ' THR . 4.0 tp10 -169.98 143.66 2.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 62.05 50.86 3.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.943 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.2 t 44.35 33.38 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 42.2 ptt85 -162.95 173.24 13.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.9 t -98.47 106.26 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 61.4 m -73.46 89.51 1.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -68.46 85.07 0.28 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.419 ' CE2' HD12 ' A' ' 100' ' ' LEU . 21.3 m-85 -80.11 92.89 5.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.421 HG22 ' N ' ' A' ' 70' ' ' ILE . 91.7 mt -61.38 144.71 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.451 HD12 ' CB ' ' A' ' 57' ' ' LEU . 5.2 mp -117.43 109.61 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -72.69 133.69 44.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.3 t -91.72 111.32 22.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 22.9 mt -83.55 149.77 58.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.608 0.718 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -7.89 22.21 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.707 2.271 . . . . 0.0 112.36 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.99 24.52 4.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 40.8 mtt85 61.92 26.86 16.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.28 157.99 35.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.836 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.56 ' CE2' ' HG ' ' A' ' 88' ' ' LEU . 47.8 m-85 -106.01 147.52 28.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -128.43 101.87 6.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.7 tt -91.7 102.6 13.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.99 -106.7 2.08 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -116.46 18.25 15.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.791 0.329 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.8 mp0 -123.84 156.6 35.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -131.73 142.97 49.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.57 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 99.3 m-85 -132.32 177.99 7.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -75.74 -30.94 59.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.563 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 2.9 p80 -175.88 -175.03 0.71 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.56 ' HG ' ' CE2' ' A' ' 78' ' ' PHE . 9.3 mt -56.56 -60.23 9.84 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.618 0.723 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.1 Cg_endo -69.78 9.0 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.656 2.238 . . . . 0.0 112.339 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.563 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -107.92 -22.07 12.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.57 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.2 pp -92.53 -40.14 10.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 23.8 mt -60.68 -34.57 74.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.47 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 5.4 pt-20 -72.39 -26.44 61.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.869 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -84.23 -22.25 30.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -84.72 -24.78 28.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.47 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 31.0 mtpt -50.2 -19.59 0.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.453 HG13 ' N ' ' A' ' 98' ' ' HIS . 46.8 pt -112.87 -36.15 2.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.123 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.453 ' N ' HG13 ' A' ' 97' ' ' ILE . 56.8 m170 -87.99 134.91 33.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.533 ' CD2' HG23 ' A' ' 104' ' ' THR . 29.5 m-85 -85.25 114.09 22.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.419 HD12 ' CE2' ' A' ' 68' ' ' TYR . 13.6 mt -48.43 -71.04 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -121.33 -64.86 1.19 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.488 ' CG2' ' OE2' ' A' ' 61' ' ' GLU . 7.3 t -126.8 -5.17 6.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.2 t -151.52 -178.74 6.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.162 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.533 HG23 ' CD2' ' A' ' 99' ' ' TYR . 45.1 p -120.18 178.09 4.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 82.6 mt -86.99 101.78 13.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.924 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 18.8 mm -73.86 -71.59 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.117 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -150.57 152.33 32.39 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.669 0.747 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 137.73 36.01 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.26 . . . . 0.0 112.338 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -51.04 160.86 0.77 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.629 0.728 . . . . 0.0 111.087 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.446 ' O ' ' NH1' ' A' ' 34' ' ' ARG . 53.5 Cg_endo -69.77 163.1 39.55 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.435 ' NH1' ' HB3' ' A' ' 111' ' ' ARG . 6.1 mmm180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -165.47 136.22 3.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.892 0.377 . . . . 0.0 110.836 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.7 p -156.4 175.69 13.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.822 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.17 135.36 1.86 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.517 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.8 t -169.77 135.99 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.339 . . . . 0.0 110.841 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.7 m -153.5 149.92 28.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.18 159.44 7.95 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.6 ttm -101.89 89.01 3.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.329 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.3 p -91.64 166.18 12.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.833 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 12' ' ' ARG . 83.2 p -60.52 -175.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 10' ' ' SER . . . -35.43 94.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.086 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 10' ' ' SER . 3.8 tmt_? -127.41 99.28 5.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -165.5 172.6 11.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -106.17 92.4 4.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.495 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 82.4 p -54.99 -21.51 12.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 88.7 p -79.08 -41.89 27.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.589 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 14.7 t70 -64.6 95.16 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.835 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.574 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 22.1 mtm180 -58.33 -39.15 78.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 t -66.53 -3.91 7.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -101.73 -27.9 12.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.589 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 31.2 p-90 -127.57 -46.49 1.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.944 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.511 ' N ' ' O ' ' A' ' 18' ' ' ARG . 26.1 t80 -65.92 101.5 0.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.963 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.507 ' O ' ' N ' ' A' ' 25' ' ' PRO . 4.2 mmt -79.39 -5.74 55.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.506 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 29.07 -91.84 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.499 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.507 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.8 Cg_endo -69.79 78.83 0.99 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.638 2.225 . . . . 0.0 112.343 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.476 ' CG2' ' HB3' ' A' ' 23' ' ' MET . 20.3 t -152.03 140.55 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.167 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 70.7 m -93.7 160.81 14.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -57.35 -53.76 54.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -49.11 -31.68 8.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 33' ' ' THR . 24.3 tt0 -78.88 -69.92 0.54 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 30' ' ' GLU . . . -35.42 -36.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 36' ' ' GLN . 11.3 mt-30 -70.51 -46.66 63.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.961 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 30' ' ' GLU . 1.2 t -61.32 -23.31 65.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.172 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -83.18 -32.66 26.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.6 mt -106.25 5.39 29.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 32' ' ' GLN . 2.7 tp60 -82.83 116.53 22.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.22 -3.33 72.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.509 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -72.88 166.96 21.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.855 0.36 . . . . 0.0 110.869 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.62 158.63 23.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 63.1 m170 -75.63 120.19 20.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 135.81 -21.98 3.51 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.474 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 26.9 ttm -66.18 152.19 45.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.83 0.348 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.49 ' CB ' HG22 ' A' ' 59' ' ' VAL . 9.3 p90 -159.2 171.23 20.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.422 ' HB2' ' CG ' ' A' ' 23' ' ' MET . 4.2 pp -174.05 150.11 1.55 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' A' ' 23' ' ' MET . 21.8 t -120.28 119.86 61.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.8 ptt85 -125.66 173.17 9.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -71.16 120.77 17.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.1 t -62.94 136.85 58.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 m -93.2 -45.36 7.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.856 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.3 p -42.83 -52.09 5.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.176 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 51.8 m -138.07 141.43 32.22 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.6 0.714 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 138.57 38.19 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.677 2.251 . . . . 0.0 112.351 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.9 -53.24 1.08 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -62.65 158.45 18.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.819 0.342 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -117.97 167.41 11.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 87.4 t -134.99 108.25 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.177 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.518 ' C ' ' CD2' ' A' ' 57' ' ' LEU . 3.4 tt -87.71 99.23 11.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.5 m -81.4 118.7 22.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.539 ' HB ' ' CE2' ' A' ' 68' ' ' TYR . 1.3 t -116.79 156.67 17.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.476 ' N ' ' CG1' ' A' ' 59' ' ' VAL . 12.5 t -106.73 105.84 16.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.499 ' OE2' ' ND2' ' A' ' 62' ' ' ASN . 1.7 tm-20 -154.94 145.49 22.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.499 ' ND2' ' OE2' ' A' ' 61' ' ' GLU . 75.3 m-20 62.52 51.45 3.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.7 p 43.59 30.67 0.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -155.41 166.14 34.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.9 t -92.23 106.7 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 68' ' ' TYR . 8.6 m -79.21 93.84 5.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -70.76 105.68 3.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.565 ' CE2' HD11 ' A' ' 100' ' ' LEU . 28.2 m-85 -99.24 93.62 6.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 69.8 mt -62.51 142.53 16.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.098 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.419 ' CG2' ' HB3' ' A' ' 78' ' ' PHE . 4.1 mp -117.55 113.83 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.093 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -75.31 134.43 41.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.7 t -88.5 121.28 30.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 24.4 mt -93.68 147.97 34.55 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.611 0.72 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -19.88 35.54 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.673 2.249 . . . . 0.0 112.369 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -84.68 28.84 0.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 56.01 46.52 21.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 66.0 mtp180 -144.63 155.72 43.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.459 ' CE2' ' CD2' ' A' ' 88' ' ' LEU . 96.0 m-85 -103.08 150.55 23.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -132.8 102.65 5.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.0 tt -87.28 104.42 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.33 -101.52 0.83 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.495 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -118.94 17.38 13.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.745 0.307 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -122.43 163.8 19.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -139.77 152.35 46.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.569 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 97.1 m-85 -141.64 -177.03 4.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -83.91 -28.98 27.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.56 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 3.3 p80 -175.62 -175.51 0.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.823 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.473 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 3.4 mm? -56.91 -60.31 9.88 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.606 0.717 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.473 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.6 Cg_endo -69.71 9.1 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.654 2.236 . . . . 0.0 112.353 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.56 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -106.05 -22.82 12.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.569 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.0 pp -97.83 -40.87 8.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.446 HD23 ' CE2' ' A' ' 43' ' ' PHE . 11.0 mt -60.77 -35.85 77.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -72.3 -24.95 61.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.525 ' CE2' ' CE1' ' A' ' 98' ' ' HIS . 44.1 t80 -83.44 -28.63 28.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.462 ' CE1' HD22 ' A' ' 100' ' ' LEU . 11.1 m-85 -79.94 -18.82 49.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.93 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -53.06 -17.27 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.431 HG13 ' N ' ' A' ' 98' ' ' HIS . 45.9 pt -114.24 -33.83 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.525 ' CE1' ' CE2' ' A' ' 94' ' ' PHE . 57.7 m170 -85.01 155.89 21.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.523 ' CD2' HG21 ' A' ' 104' ' ' THR . 3.2 m-85 -108.51 120.32 42.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.565 HD11 ' CE2' ' A' ' 68' ' ' TYR . 6.7 mt -62.57 -72.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.941 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.03 -69.24 0.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.3 t -130.77 3.17 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.156 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 14.2 t -156.08 174.02 15.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.523 HG21 ' CD2' ' A' ' 99' ' ' TYR . 12.1 p -113.3 176.64 4.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 78.5 mt -83.93 112.36 20.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 23.1 mm -91.68 -70.65 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -144.46 148.64 41.24 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.568 0.699 . . . . 0.0 110.913 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 134.78 28.71 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.672 2.248 . . . . 0.0 112.328 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -41.73 153.94 0.26 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.659 0.743 . . . . 0.0 111.062 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 150.72 68.4 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.658 2.238 . . . . 0.0 112.319 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.958 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -127.81 89.35 2.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 110.872 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.3 t -139.97 140.79 36.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.01 -102.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.4 t -105.02 116.72 32.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.888 0.375 . . . . 0.0 110.911 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.0 p -39.12 -46.01 1.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.59 -149.47 20.59 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 82.4 mmm -132.19 101.03 5.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.758 0.313 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.4 p -169.73 170.64 7.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.7 m -122.48 -55.24 1.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.19 87.75 3.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.119 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -119.97 91.99 3.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -141.86 168.22 20.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -98.86 90.14 4.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.495 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 62.6 p -52.4 -27.86 17.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.87 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 82.8 p -75.85 -41.04 53.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.595 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 17.0 t70 -64.52 92.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.567 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 19.6 mtm180 -62.74 -34.86 78.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.4 t -70.23 1.16 5.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.488 ' CB ' ' OD2' ' A' ' 17' ' ' ASP . . . -109.01 -26.8 10.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.595 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 58.3 p-90 -128.65 -43.83 1.38 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.449 ' N ' ' O ' ' A' ' 18' ' ' ARG . 27.8 t80 -66.64 113.62 4.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.521 ' O ' ' N ' ' A' ' 25' ' ' PRO . 6.5 mmt -94.54 -4.9 47.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.517 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 28.05 -91.2 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.436 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.521 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.9 Cg_endo -69.74 79.04 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.664 2.242 . . . . 0.0 112.365 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.49 ' CG2' ' HB3' ' A' ' 23' ' ' MET . 12.7 t -151.56 129.66 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.8 m -77.89 157.67 29.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' A' ' 28' ' ' ARG . 15.3 ttp-105 -57.57 -52.84 63.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -51.4 -34.36 34.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -71.4 -65.01 0.81 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.403 ' CB ' HD22 ' A' ' 44' ' ' LEU . . . -40.35 -33.42 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 36' ' ' GLN . 10.7 mt-30 -66.9 -47.91 70.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.497 HG21 ' N ' ' A' ' 34' ' ' ARG . 11.0 t -62.2 -24.85 67.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.497 ' N ' HG21 ' A' ' 33' ' ' THR . 11.6 mtp180 -80.98 -31.49 34.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.468 ' CD2' ' HG2' ' A' ' 42' ' ' MET . 25.0 mt -111.03 11.36 22.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 32' ' ' GLN . 0.7 OUTLIER -87.56 113.08 22.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.87 -26.69 4.12 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.486 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -48.37 163.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.338 . . . . 0.0 110.919 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.55 151.24 8.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.457 ' CG ' ' OE1' ' A' ' 61' ' ' GLU . 40.3 m170 -68.8 126.4 29.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 127.24 -38.1 2.22 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.47 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.468 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 30.8 ttm -41.63 154.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.835 0.35 . . . . 0.0 110.847 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -160.65 169.25 23.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.489 ' C ' ' CD1' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -170.3 146.35 2.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.418 ' O ' ' CD1' ' A' ' 22' ' ' TYR . 20.9 t -120.3 110.26 28.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.408 ' NH1' ' O ' ' A' ' 26' ' ' VAL . 13.6 ptt85 -112.55 -178.4 3.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -86.71 116.52 24.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 8.2 t -58.82 154.04 15.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.5 t -114.85 -49.15 2.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 41.6 p -60.87 -50.81 71.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.153 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 73.7 m -87.95 140.29 31.02 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.61 0.719 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 53' ' ' GLY . 53.8 Cg_endo -69.8 139.01 39.02 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.632 2.222 . . . . 0.0 112.351 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 52' ' ' PRO . . . 33.68 46.15 0.4 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.469 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.421 ' O ' ' CB ' ' A' ' 48' ' ' SER . 20.4 m-20 -123.21 160.08 27.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 110.86 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -112.45 166.81 10.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.5 t -140.38 106.98 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.498 ' O ' ' CD1' ' A' ' 57' ' ' LEU . 1.5 tm? -87.2 105.29 17.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 65.4 m -97.35 149.8 21.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.4 m -144.16 158.34 15.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.4 t -99.17 104.81 16.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.822 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.457 ' OE1' ' CG ' ' A' ' 40' ' ' HIS . 12.1 tp10 -157.78 161.03 38.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 39.0 m-20 56.33 29.79 15.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.932 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.6 m 62.5 25.01 14.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -152.48 -175.37 5.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 39.6 t -110.76 112.06 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.8 m -83.82 101.27 11.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -82.38 100.14 9.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -97.26 103.6 15.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.962 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.449 HG23 ' N ' ' A' ' 70' ' ' ILE . 99.0 mt -69.61 141.09 17.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.449 ' N ' HG23 ' A' ' 69' ' ' ILE . 4.5 mp -112.82 113.34 43.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.175 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -76.7 130.78 38.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.9 t -81.75 119.81 24.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 22.8 mt -89.38 149.95 43.7 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.619 0.723 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -23.8 30.51 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.725 2.283 . . . . 0.0 112.32 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -83.03 43.32 0.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.436 ' HB3' ' NH1' ' A' ' 76' ' ' ARG . 5.2 mmm180 43.96 43.5 5.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 43.5 mtt85 -141.24 163.57 32.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.419 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 25.9 m-85 -112.22 153.54 26.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 47.3 tttt -132.71 103.37 6.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.4 tt -94.67 103.14 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.101 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 76.39 -109.13 2.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.48 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -117.86 24.89 10.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.749 0.309 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 51.2 mm-40 -131.46 170.43 14.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -142.03 147.28 36.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.576 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 96.7 m-85 -138.03 170.32 16.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.861 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.31 -33.12 75.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 3.2 p80 -173.31 -175.0 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.834 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.487 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 9.0 mt -57.54 -60.05 11.04 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.645 0.736 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.7 Cg_endo -69.71 11.13 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.709 2.273 . . . . 0.0 112.362 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.567 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -110.2 -21.64 12.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.576 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.4 pp -91.31 -40.79 11.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.459 ' N ' HD13 ' A' ' 91' ' ' LEU . 16.3 mt -59.56 -33.29 71.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -74.4 -24.94 59.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.483 ' CE2' ' CE1' ' A' ' 98' ' ' HIS . 9.6 t80 -83.01 -26.83 30.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -78.47 -22.45 47.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -51.09 -18.22 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 45.4 pt -117.66 -33.75 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.483 ' CE1' ' CE2' ' A' ' 94' ' ' PHE . 60.7 m170 -88.35 137.54 32.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.547 ' CD2' HG23 ' A' ' 104' ' ' THR . 2.2 m-85 -91.51 115.98 28.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.963 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.4 mp -53.74 -69.6 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -114.27 -69.08 0.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.5 t -130.12 -1.34 4.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.142 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.4 t -150.19 177.29 10.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.547 HG23 ' CD2' ' A' ' 99' ' ' TYR . 77.2 p -118.91 -179.2 3.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.5 mt -88.01 119.41 28.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 21.0 mm -94.06 -67.74 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -149.14 145.09 18.79 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.613 0.72 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 138.58 38.16 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.68 2.253 . . . . 0.0 112.387 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.21 157.4 12.2 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.57 0.7 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 147.23 62.63 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.669 2.246 . . . . 0.0 112.395 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.9 m -104.68 163.05 12.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.899 0.381 . . . . 0.0 110.859 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.1 m -124.87 171.63 10.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.823 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.8 91.29 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.471 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.9 p -132.61 149.44 52.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.863 0.363 . . . . 0.0 110.838 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 m -154.6 147.62 24.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.63 119.58 1.0 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.483 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.3 ttt -107.34 -59.57 1.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.831 0.348 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.6 m -83.41 123.18 29.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.2 m -55.59 -54.27 46.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.95 99.92 3.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.059 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -128.8 90.27 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.554 ' CZ ' ' HE3' ' A' ' 96' ' ' LYS . 54.0 p90 -155.4 148.67 24.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -80.13 97.72 6.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.496 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 9.4 t -61.62 -18.1 58.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.4 t -78.08 -35.52 49.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.595 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 35.5 t0 -68.72 95.67 0.68 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.56 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 13.4 mtm180 -63.59 -37.68 88.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.3 t -67.68 -2.54 7.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -103.99 -28.43 11.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.061 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.595 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 55.7 p-90 -128.15 -44.46 1.43 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.51 ' N ' ' O ' ' A' ' 18' ' ' ARG . 8.3 t80 -62.53 102.65 0.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.95 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.513 ' O ' ' N ' ' A' ' 25' ' ' PRO . 4.6 mmt -81.68 -9.32 59.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.504 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 28.68 -91.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.482 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.513 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.3 Cg_endo -69.83 78.73 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.636 2.224 . . . . 0.0 112.328 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.478 ' CG2' ' HB3' ' A' ' 23' ' ' MET . 5.3 t -149.83 146.03 17.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.4 m -98.01 145.86 26.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.1 ttt-85 -47.47 -52.17 18.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -48.26 -32.66 7.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 32' ' ' GLN . 11.9 tt0 -76.03 -68.76 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 30' ' ' GLU . . . -36.9 -28.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.077 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' A' ' 30' ' ' GLU . 8.3 mt-30 -71.5 -53.02 15.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.2 t -62.21 -21.05 64.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.173 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -79.59 -33.77 41.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.6 mt -109.75 3.95 21.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' GLN . 4.1 tp60 -80.49 106.73 12.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.86 8.86 75.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -85.97 163.0 18.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.818 0.342 . . . . 0.0 110.897 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.37 149.51 24.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 39.0 m170 -68.08 117.55 10.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 138.59 -27.27 2.73 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 24.9 ttm -58.22 153.87 14.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.489 ' CB ' HG22 ' A' ' 59' ' ' VAL . 6.3 p90 -160.93 171.18 19.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.6 pp -174.64 146.24 0.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.2 t -115.96 113.22 42.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.409 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -114.43 174.6 5.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.919 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.31 119.51 20.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 22.9 t -50.94 146.33 6.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.3 m -109.71 -50.5 2.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.69 -2.8 12.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 45.7 m -146.78 127.21 6.94 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.599 0.714 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 117.67 5.23 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.676 2.251 . . . . 0.0 112.318 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.44 -51.72 2.09 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.507 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.469 ' O ' ' CB ' ' A' ' 48' ' ' SER . 1.8 m-20 -43.83 166.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -122.92 167.85 13.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.4 HG13 ' NH1' ' A' ' 46' ' ' ARG . 61.5 t -137.4 113.08 11.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.159 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.507 ' C ' ' CD2' ' A' ' 57' ' ' LEU . 3.0 tt -92.84 94.27 8.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.972 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.4 m -77.38 116.81 18.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.508 ' HB ' ' CE2' ' A' ' 68' ' ' TYR . 1.0 OUTLIER -116.33 151.51 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.11 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.8 t -97.31 118.39 33.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.436 ' CD ' ' CG2' ' A' ' 102' ' ' THR . 7.2 tp10 -166.32 143.02 5.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 59.21 50.82 7.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.3 t 42.52 32.19 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.1 ptt-85 -146.99 176.4 9.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.437 HG13 ' CE1' ' A' ' 67' ' ' HIS . 6.5 t -103.83 98.2 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 68' ' ' TYR . 20.1 m -73.72 90.89 1.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.437 ' CE1' HG13 ' A' ' 65' ' ' VAL . 77.8 m-70 -75.42 108.01 7.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.571 ' CE2' HD12 ' A' ' 100' ' ' LEU . 32.6 m-85 -100.0 95.28 6.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.984 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.448 HG23 ' N ' ' A' ' 70' ' ' ILE . 69.1 mt -61.27 144.9 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.448 ' N ' HG23 ' A' ' 69' ' ' ILE . 5.2 mp -114.58 119.55 61.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.15 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -82.08 122.13 27.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.4 t -81.57 107.55 14.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.829 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 55.8 mt -79.83 143.94 59.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.58 0.705 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -13.41 34.7 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 41.8 p-10 -85.31 27.98 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 60.41 37.15 20.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -143.01 167.25 22.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.418 ' CD1' ' N ' ' A' ' 78' ' ' PHE . 4.0 m-85 -113.25 166.71 11.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -148.98 105.49 3.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.7 tt -91.07 105.34 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.18 -105.72 2.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.523 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -119.18 15.39 13.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.761 0.315 . . . . 0.0 110.852 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -121.07 157.7 29.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -127.05 149.25 50.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.602 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 95.8 m-85 -138.83 171.92 13.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -71.72 -30.37 65.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.575 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 3.0 p80 -175.5 -175.01 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.486 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 8.8 mt -57.09 -59.83 11.48 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.644 0.735 . . . . 0.0 110.964 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.8 Cg_endo -69.76 10.48 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.651 2.234 . . . . 0.0 112.341 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.575 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -110.15 -19.16 13.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.081 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.602 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.2 pp -93.96 -40.73 9.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 28.5 mt -62.35 -44.41 96.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -62.17 -27.95 69.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -80.29 -34.95 36.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.518 ' CG ' HD21 ' A' ' 100' ' ' LEU . 26.5 m-85 -77.03 -9.0 58.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.554 ' HE3' ' CZ ' ' A' ' 13' ' ' PHE . 56.7 mttt -58.71 -21.29 54.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.889 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.494 HG13 ' CD2' ' A' ' 98' ' ' HIS . 38.7 pt -113.12 -35.79 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.494 ' CD2' HG13 ' A' ' 97' ' ' ILE . 45.9 m170 -90.08 132.0 35.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.556 ' CD2' HG22 ' A' ' 104' ' ' THR . 6.4 m-85 -82.0 114.9 20.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.952 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.571 HD12 ' CE2' ' A' ' 68' ' ' TYR . 6.6 mt -46.63 -70.2 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -111.12 -64.59 1.26 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.436 ' CG2' ' CD ' ' A' ' 61' ' ' GLU . 2.8 t -133.82 -0.29 3.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.6 t -151.24 171.28 17.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.556 HG22 ' CD2' ' A' ' 99' ' ' TYR . 2.0 p -107.21 -179.8 4.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 97.7 mt -92.61 106.61 18.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 22.7 mm -78.87 -67.19 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -155.54 151.91 23.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.659 0.742 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 143.89 52.53 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.14 150.05 96.02 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.582 0.706 . . . . 0.0 111.098 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 147.54 63.76 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.383 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.837 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.7 p -168.88 138.85 2.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.861 0.363 . . . . 0.0 110.857 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.9 t -138.0 159.19 42.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.49 88.73 1.43 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.1 p -49.44 166.57 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.874 0.369 . . . . 0.0 110.873 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 7' ' ' GLY . 45.9 t -97.54 -61.96 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 37.53 -105.82 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.496 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.17 -47.6 9.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.76 0.314 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.9 t -48.69 164.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.831 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 52.3 p -95.18 -178.99 4.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.813 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -41.14 99.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.7 mmm-85 -131.78 94.27 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -156.97 -176.49 6.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -113.55 89.21 3.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.492 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 58.6 m -56.49 -24.87 49.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.816 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 m -74.81 -38.76 62.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.596 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 16.5 t70 -72.8 110.45 7.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.562 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 5.7 mtm-85 -70.14 -36.01 74.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.3 t -66.31 -3.57 6.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -101.67 -28.64 12.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.121 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.596 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 49.4 p-90 -128.96 -44.97 1.28 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.943 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.518 ' N ' ' CE3' ' A' ' 21' ' ' TRP . 7.8 t80 -54.17 122.05 9.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.512 ' O ' ' N ' ' A' ' 25' ' ' PRO . 7.9 mmt -103.23 -4.08 24.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.51 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 29.01 -91.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.512 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.8 Cg_endo -69.81 78.99 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.464 ' CG2' ' HB3' ' A' ' 23' ' ' MET . 39.3 t -156.93 135.98 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.455 ' N ' HG12 ' A' ' 26' ' ' VAL . 3.0 m -97.52 174.8 6.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -62.94 -47.17 84.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -55.58 -35.89 66.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.946 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -75.31 -65.16 0.92 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.83 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.424 ' CB ' ' HD3' ' A' ' 46' ' ' ARG . . . -39.99 -29.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.075 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.5 ' O ' ' N ' ' A' ' 36' ' ' GLN . 8.4 mt-30 -71.16 -49.69 41.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.499 HG22 ' N ' ' A' ' 34' ' ' ARG . 12.0 t -59.13 -24.89 63.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.499 ' N ' HG22 ' A' ' 33' ' ' THR . 1.5 mtp-105 -81.13 -33.54 33.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 24.2 mt -108.32 9.39 27.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 32' ' ' GLN . 2.5 tp60 -88.62 106.27 18.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.16 -9.96 76.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.494 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -68.83 162.71 25.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 -61.06 145.29 51.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 38.1 m170 -58.09 139.22 55.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 42' ' ' MET . . . 116.16 -47.62 1.02 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.462 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 41' ' ' GLY . 31.3 ttm -37.05 152.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.337 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -157.24 168.57 27.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.2 pp -169.93 142.83 2.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.6 t -117.45 108.71 25.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.424 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 13.0 ptt85 -110.94 163.87 13.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -67.22 118.16 10.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.6 t -50.93 159.23 0.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.4 t -110.85 -40.86 4.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.2 p -43.29 -36.37 1.81 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.2 m -165.46 147.31 6.33 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.553 0.692 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 119.49 6.43 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.704 2.269 . . . . 0.0 112.33 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 126.9 -53.67 0.79 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.477 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -64.97 157.1 29.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.853 0.358 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -119.1 171.49 8.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 86.8 t -145.5 111.16 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.515 ' C ' ' CD1' ' A' ' 57' ' ' LEU . 1.4 tm? -92.41 112.75 24.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.955 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.413 ' HB3' ' CG1' ' A' ' 65' ' ' VAL . 17.6 m -107.23 141.08 39.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.408 HG11 ' C ' ' A' ' 58' ' ' SER . 12.3 m -137.1 163.88 31.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.125 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.3 t -92.97 98.2 11.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.501 ' CG ' ' CG2' ' A' ' 102' ' ' THR . 16.4 tt0 -148.6 152.87 37.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 57.1 53.28 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.4 t 41.75 30.51 0.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.1 ptt180 -159.49 -175.66 5.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.413 ' CG1' ' HB3' ' A' ' 58' ' ' SER . 49.2 t -105.68 105.44 18.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 68' ' ' TYR . 15.5 m -73.44 99.98 3.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -80.41 104.51 11.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.852 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.428 ' CZ ' ' HB3' ' A' ' 66' ' ' SER . 27.3 m-85 -102.64 109.05 20.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 87.4 mt -74.33 145.05 11.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.115 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.5 mp -116.1 113.16 42.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -75.24 132.73 41.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.3 t -90.96 120.27 31.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.5 mt -91.13 151.66 43.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.589 0.709 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -21.23 33.68 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.656 2.237 . . . . 0.0 112.319 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -84.94 44.32 1.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 62.3 mtt-85 41.93 45.53 3.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 22.3 mtt85 -145.07 151.27 38.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -102.06 165.98 10.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -145.62 109.26 4.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 7.9 tt -97.99 99.11 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.47 -103.83 2.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.448 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -119.9 21.52 11.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.801 0.334 . . . . 0.0 110.856 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -131.99 167.12 20.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -138.42 158.56 44.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.604 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 93.9 m-85 -146.3 170.09 17.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.61 -35.91 81.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.574 ' CE1' ' HB1' ' A' ' 90' ' ' ALA . 3.8 p80 -167.88 -175.77 2.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.494 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 9.3 mt -58.52 -59.67 12.8 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.601 0.715 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.9 Cg_endo -69.76 12.57 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.651 2.234 . . . . 0.0 112.352 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.574 ' HB1' ' CE1' ' A' ' 87' ' ' HIS . . . -110.45 -24.13 10.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.604 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.5 pp -88.71 -41.57 12.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.459 ' N ' HD13 ' A' ' 91' ' ' LEU . 7.1 mt -56.29 -40.61 74.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.954 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.473 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 6.0 mt-10 -66.15 -27.38 67.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -80.96 -19.29 44.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.449 ' CE1' HD21 ' A' ' 100' ' ' LEU . 6.4 m-85 -92.0 -23.53 19.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.907 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.473 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 16.9 mtpt -48.51 -20.41 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.897 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 48.7 pt -114.28 -30.91 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.14 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 58.7 m170 -88.47 149.95 23.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.543 ' CD2' HG22 ' A' ' 104' ' ' THR . 19.0 m-85 -99.8 113.75 26.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.449 HD21 ' CE1' ' A' ' 95' ' ' TYR . 7.7 mt -54.18 -65.78 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.951 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.42 ' CB ' ' OE2' ' A' ' 61' ' ' GLU . 6.2 m-20 -118.89 -63.91 1.34 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.501 ' CG2' ' CG ' ' A' ' 61' ' ' GLU . 7.6 t -134.51 -0.61 2.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 10.5 t -150.56 179.12 8.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.15 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.543 HG22 ' CD2' ' A' ' 99' ' ' TYR . 60.7 p -116.15 -175.4 2.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 91.5 mt -95.87 104.37 16.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 14.4 mm -81.41 -72.31 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -149.99 146.91 21.05 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.638 0.732 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 152.34 69.35 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.694 2.262 . . . . 0.0 112.354 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.55 149.32 95.54 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.575 0.702 . . . . 0.0 111.042 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 147.69 63.42 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.339 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 2.7 mtp-105 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 t -154.89 163.36 40.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.865 0.364 . . . . 0.0 110.846 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.3 m -136.66 166.73 22.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.812 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.63 101.59 0.39 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.49 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -97.37 116.65 29.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.895 0.379 . . . . 0.0 110.854 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -81.81 159.7 23.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.04 71.36 0.44 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.445 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 49.8 ttp -62.37 -63.41 1.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.828 0.346 . . . . 0.0 110.862 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -97.82 131.4 44.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.8 m -48.77 -51.83 27.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.829 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.93 89.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.107 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -128.46 93.42 3.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -157.32 146.06 19.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.822 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -77.35 105.79 8.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.473 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 36.6 p -64.86 -24.78 67.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 m -77.69 -31.59 52.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.878 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.472 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 11.6 t0 -69.1 96.56 0.81 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.561 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 6.0 mtm-85 -64.14 -38.27 90.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.497 ' O ' ' NE ' ' A' ' 111' ' ' ARG . 3.3 t -65.69 -4.32 6.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.08 -32.69 10.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.097 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.561 ' CZ2' ' HG3' ' A' ' 18' ' ' ARG . 54.3 p-90 -123.54 -45.17 2.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.541 ' N ' ' CE3' ' A' ' 21' ' ' TRP . 5.5 t80 -55.24 132.02 46.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.518 ' O ' ' N ' ' A' ' 25' ' ' PRO . 13.4 mmt -119.69 -9.95 9.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.49 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 30.83 -91.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.45 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.518 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.7 Cg_endo -69.73 79.4 0.94 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.645 2.23 . . . . 0.0 112.327 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.447 ' CG2' ' HB3' ' A' ' 23' ' ' MET . 46.3 t -155.4 131.19 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.429 ' N ' HG11 ' A' ' 26' ' ' VAL . 61.5 p -85.08 160.41 19.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.412 ' HB2' ' NH2' ' A' ' 46' ' ' ARG . 45.5 ttm-85 -57.82 -54.23 49.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -46.08 -40.73 11.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -67.04 -66.31 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.31 -33.33 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 36' ' ' GLN . 23.9 mt-30 -71.41 -44.33 65.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.451 HG21 ' N ' ' A' ' 34' ' ' ARG . 1.4 t -62.47 -22.38 66.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.451 ' N ' HG21 ' A' ' 33' ' ' THR . 6.3 mtm180 -85.16 -33.05 22.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.8 mt -105.63 5.39 31.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 32' ' ' GLN . 0.6 OUTLIER -82.86 107.78 15.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.887 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.52 14.56 79.83 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.526 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.403 ' CG ' ' O ' ' A' ' 34' ' ' ARG . 12.7 mm100 -90.73 173.51 7.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.347 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -65.25 128.95 37.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 58.1 m170 -51.74 127.2 20.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 129.84 -35.24 2.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.458 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 21.4 ttm -51.71 148.55 5.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.748 0.309 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.467 ' CB ' HG23 ' A' ' 59' ' ' VAL . 6.5 p90 -154.29 165.62 35.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.439 ' CD1' ' O ' ' A' ' 44' ' ' LEU . 3.4 pp -170.94 132.13 0.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.2 t -100.77 126.76 54.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.412 ' NH2' ' HB2' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -131.56 157.09 44.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -62.52 125.12 22.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.4 t -51.5 -178.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.7 t -127.11 -57.07 1.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.827 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.0 p -104.64 28.92 6.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.7 m -130.57 136.27 28.69 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.612 0.72 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.464 ' O ' ' C ' ' A' ' 53' ' ' GLY . 53.9 Cg_endo -69.74 124.75 11.4 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.714 2.276 . . . . 0.0 112.365 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 52' ' ' PRO . . . 33.08 53.47 0.53 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.499 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -123.41 178.02 5.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -134.98 171.17 14.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.6 t -139.91 117.83 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.174 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.412 HD13 ' CD2' ' A' ' 92' ' ' LEU . 5.3 tt -96.95 95.74 8.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.7 m -78.1 111.62 14.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.467 HG23 ' CB ' ' A' ' 43' ' ' PHE . 1.0 OUTLIER -112.76 151.27 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.103 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.45 ' N ' HG13 ' A' ' 59' ' ' VAL . 1.4 t -97.36 97.42 9.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.431 ' CG ' ' CG2' ' A' ' 102' ' ' THR . 8.9 tt0 -144.15 145.85 32.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.836 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 60.53 53.88 3.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 m 40.77 33.14 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -154.68 176.84 11.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.1 t -98.78 98.26 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 68' ' ' TYR . 14.1 m -74.75 91.21 2.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -73.15 107.49 5.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.569 ' CE2' HD11 ' A' ' 100' ' ' LEU . 36.7 m-85 -98.8 94.97 6.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.452 HG23 ' N ' ' A' ' 70' ' ' ILE . 77.9 mt -62.39 142.28 16.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.148 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.452 ' N ' HG23 ' A' ' 69' ' ' ILE . 5.3 mp -116.16 109.11 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -69.27 142.92 54.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.9 t -96.17 105.45 17.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.5 mt -71.68 146.54 91.16 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.668 0.746 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -22.9 31.53 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.69 2.26 . . . . 0.0 112.337 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.468 ' O ' ' CD ' ' A' ' 77' ' ' ARG . 1.6 p30 -86.39 46.49 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 44.77 48.2 8.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.468 ' CD ' ' O ' ' A' ' 75' ' ' ASN . 6.6 mpt_? -145.99 169.95 17.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -119.57 159.37 24.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -142.24 112.21 6.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.0 tt -96.71 100.17 10.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.7 -104.62 2.1 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.04 20.32 12.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.781 0.324 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -129.11 157.95 40.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -131.25 153.45 49.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.578 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 98.1 m-85 -141.38 174.99 10.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.06 -30.76 68.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.57 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 2.8 p80 -175.72 -174.99 0.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.486 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 8.8 mt -56.62 -60.0 10.6 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.623 0.725 . . . . 0.0 110.925 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.5 Cg_endo -69.76 9.31 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.68 2.253 . . . . 0.0 112.322 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.57 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -109.21 -19.81 13.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.073 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.578 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.0 pp -92.13 -40.5 11.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.412 ' CD2' HD13 ' A' ' 57' ' ' LEU . 13.2 mt -61.37 -39.23 89.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.413 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 7.1 pt-20 -66.67 -24.96 66.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -88.44 -14.33 38.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.445 ' CD1' HD22 ' A' ' 100' ' ' LEU . 3.0 m-85 -94.78 -20.55 19.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.413 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 30.3 mtpt -55.19 -21.18 12.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.43 HG13 ' N ' ' A' ' 98' ' ' HIS . 39.0 pt -110.4 -33.36 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.43 ' N ' HG13 ' A' ' 97' ' ' ILE . 62.4 m170 -88.22 143.49 27.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.56 ' CD2' HG22 ' A' ' 104' ' ' THR . 7.2 m-85 -93.3 114.65 27.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.569 HD11 ' CE2' ' A' ' 68' ' ' TYR . 7.5 mt -49.84 -72.46 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -117.52 -65.28 1.2 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.431 ' CG2' ' CG ' ' A' ' 61' ' ' GLU . 7.0 t -127.37 -3.63 6.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.128 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.3 t -148.68 -175.61 5.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.56 HG22 ' CD2' ' A' ' 99' ' ' TYR . 80.9 p -124.41 179.08 5.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.432 HD13 ' CB ' ' A' ' 95' ' ' TYR . 96.7 mt -87.06 105.78 17.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 19.1 mm -80.49 -72.35 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.113 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -149.63 148.59 26.21 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.607 0.718 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 134.92 28.98 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.651 2.234 . . . . 0.0 112.328 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.04 154.78 18.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.594 0.711 . . . . 0.0 111.102 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 152.79 69.18 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.497 ' NE ' ' O ' ' A' ' 19' ' ' SER . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.249 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 m -115.71 150.15 37.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.908 0.385 . . . . 0.0 110.831 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.0 p -175.01 161.53 2.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.69 142.82 13.75 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.4 t -94.14 139.31 31.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.876 0.369 . . . . 0.0 110.828 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.3 p -87.84 137.51 32.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -44.77 160.06 0.13 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.477 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -113.53 -45.25 3.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.342 . . . . 0.0 110.84 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.1 m -135.51 173.99 11.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.811 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.4 t -75.24 172.45 12.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.844 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 57.99 41.05 24.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -95.19 100.13 11.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -160.55 176.11 11.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.08 133.67 43.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.418 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 88.5 p -95.99 -36.75 10.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.2 t -76.31 -37.29 57.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.599 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 27.1 t0 -64.49 91.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.575 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 5.2 mtm105 -63.08 -37.33 86.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.3 t -66.8 -3.14 6.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -102.67 -28.63 12.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.075 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 41.4 p-90 -127.46 -45.52 1.5 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.51 ' N ' ' O ' ' A' ' 18' ' ' ARG . 23.3 t80 -61.55 110.91 1.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.516 ' O ' ' N ' ' A' ' 25' ' ' PRO . 5.4 mmt -90.59 -3.4 57.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.938 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.503 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 28.65 -91.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.516 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.7 Cg_endo -69.79 78.88 0.99 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.33 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.471 ' CG2' ' HB3' ' A' ' 23' ' ' MET . 32.4 t -155.79 135.46 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.448 ' N ' HG11 ' A' ' 26' ' ' VAL . 62.2 p -96.48 160.91 14.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -52.79 -54.16 38.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -44.47 -44.27 8.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 31' ' ' ALA . 18.2 tt0 -70.93 -63.72 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 30' ' ' GLU . . . -36.86 -39.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 36' ' ' GLN . 13.1 mt-30 -61.22 -52.13 66.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.478 HG21 ' N ' ' A' ' 34' ' ' ARG . 6.2 t -60.08 -23.25 63.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.101 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.478 ' N ' HG21 ' A' ' 33' ' ' THR . 14.4 mtp180 -80.28 -30.38 38.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.7 mt -116.19 14.21 15.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 32' ' ' GLN . 4.3 tp60 -87.98 108.45 19.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.71 -28.09 9.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.441 ' NE2' ' HE1' ' A' ' 42' ' ' MET . 14.1 mm-40 -50.34 162.44 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.784 0.326 . . . . 0.0 110.927 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.63 158.07 4.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 44.4 m170 -71.99 126.84 30.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 128.57 -40.07 1.78 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.441 ' HE1' ' NE2' ' A' ' 38' ' ' GLN . 28.3 ttm -42.43 149.91 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.329 . . . . 0.0 110.868 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -156.17 174.21 15.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.6 pp -174.72 146.37 0.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.0 t -119.01 107.0 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.6 ptt-85 -108.57 172.4 6.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -78.03 120.87 23.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.5 t -59.1 117.03 4.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.9 t -76.32 -46.61 26.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.82 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -46.02 -47.29 16.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.101 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 87.6 m -142.6 136.62 14.65 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.601 0.715 . . . . 0.0 110.848 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 163.95 36.35 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.7 2.267 . . . . 0.0 112.315 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 76.91 -45.09 2.17 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.467 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.89 160.25 30.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.34 . . . . 0.0 110.847 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -122.89 172.62 8.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.4 t -140.92 105.87 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.155 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.535 ' C ' ' CD1' ' A' ' 57' ' ' LEU . 1.5 tm? -90.71 113.34 25.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.6 m -103.26 154.46 19.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.4 m -150.59 154.32 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.7 t -90.81 90.98 8.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.446 ' HG2' ' N ' ' A' ' 62' ' ' ASN . 22.4 tt0 -138.86 151.36 46.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.849 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.446 ' N ' ' HG2' ' A' ' 61' ' ' GLU . 27.3 m-80 58.96 39.81 23.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.862 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.5 t 54.34 28.41 9.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -153.21 179.65 8.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.462 HG12 ' CE1' ' A' ' 67' ' ' HIS . 47.6 t -105.83 98.81 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.8 m -70.51 104.8 2.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.462 ' CE1' HG12 ' A' ' 65' ' ' VAL . 92.0 m-70 -84.13 101.27 11.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -97.76 107.79 20.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.414 HG23 ' N ' ' A' ' 70' ' ' ILE . 88.2 mt -75.15 135.85 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.112 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.436 ' CG2' ' HB3' ' A' ' 78' ' ' PHE . 3.9 mp -102.9 103.44 15.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.164 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -66.35 131.72 46.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.3 t -84.7 116.56 23.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 28.8 mt -84.39 151.59 59.55 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.621 0.724 . . . . 0.0 110.945 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -20.62 34.7 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.257 . . . . 0.0 112.333 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -89.92 42.06 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 44.21 51.44 7.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -143.71 161.77 37.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.566 ' CE2' ' CD2' ' A' ' 88' ' ' LEU . 33.2 m-85 -106.43 157.78 17.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.837 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.3 tttp -142.28 105.95 4.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 7.2 tt -96.9 101.59 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.69 -107.98 2.53 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.492 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -117.01 28.42 8.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.74 0.305 . . . . 0.0 110.842 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -136.88 162.59 32.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -135.26 145.73 47.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.603 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 98.9 m-85 -132.84 -176.4 4.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -87.79 -29.16 21.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.559 ' CE1' ' HB3' ' A' ' 90' ' ' ALA . 3.0 p80 -175.72 -174.94 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.566 ' CD2' ' CE2' ' A' ' 78' ' ' PHE . 3.5 mm? -56.71 -60.29 9.79 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.611 0.719 . . . . 0.0 110.873 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.474 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.7 Cg_endo -69.8 9.87 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.685 2.256 . . . . 0.0 112.34 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.559 ' HB3' ' CE1' ' A' ' 87' ' ' HIS . . . -108.78 -21.32 12.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.603 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.6 pp -98.55 -42.49 7.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.448 ' CD2' HD11 ' A' ' 91' ' ' LEU . 28.4 mt -58.05 -36.19 72.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -72.64 -31.99 65.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -74.9 -22.17 58.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -82.3 -28.46 31.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -47.75 -19.85 0.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 46.0 pt -113.18 -31.07 2.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.114 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 64.9 m170 -96.58 137.98 34.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.529 ' CD2' HG23 ' A' ' 104' ' ' THR . 7.5 m-85 -90.59 116.6 28.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.7 mp -49.42 -68.3 0.19 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -120.91 -65.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.425 HG23 ' CD ' ' A' ' 61' ' ' GLU . 12.9 t -129.49 -6.3 4.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 9.0 t -146.42 174.32 11.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.529 HG23 ' CD2' ' A' ' 99' ' ' TYR . 32.5 p -114.93 176.53 5.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 87.3 mt -83.57 117.15 22.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 44.4 mm -93.48 -69.03 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.92 150.7 26.59 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.658 0.742 . . . . 0.0 110.865 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 133.94 26.82 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.729 2.286 . . . . 0.0 112.336 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -43.77 151.18 0.51 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.575 0.702 . . . . 0.0 111.114 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 153.69 68.85 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.686 2.257 . . . . 0.0 112.364 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 43.9 mmm-85 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -106.6 -51.61 2.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.908 0.385 . . . . 0.0 110.876 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 t -42.97 104.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.45 -144.8 6.28 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.528 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t -99.79 118.22 35.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.854 0.359 . . . . 0.0 110.879 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 t -119.13 41.71 3.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.3 81.84 0.16 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.9 tpp -80.38 -53.66 6.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.787 0.327 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.6 t -73.85 150.46 40.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 77.7 p -89.09 166.64 13.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 62.54 46.08 5.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.065 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -108.96 84.16 1.88 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -141.46 174.99 10.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -101.72 116.68 33.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.489 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 8.1 p -79.15 -31.27 43.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.3 m -72.01 -39.4 69.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.536 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 25.9 t70 -65.58 99.86 0.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.567 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 12.8 mtt85 -68.23 -35.9 78.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.3 t -66.03 -4.44 7.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.69 -33.8 10.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.077 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.567 ' CZ2' ' HG3' ' A' ' 18' ' ' ARG . 55.1 p-90 -121.77 -45.18 2.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.509 ' N ' ' O ' ' A' ' 18' ' ' ARG . 8.0 t80 -61.31 110.46 1.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.509 ' O ' ' C ' ' A' ' 24' ' ' GLY . 6.4 mmt -90.73 -3.2 57.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.509 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 29.2 -91.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.484 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.508 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.5 Cg_endo -69.79 78.84 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.646 2.231 . . . . 0.0 112.356 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.423 ' CG2' ' HB3' ' A' ' 23' ' ' MET . 41.0 t -157.61 128.23 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.1 p -87.72 178.41 6.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.447 ' NE ' ' OE1' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -69.82 -44.29 70.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 -179.881 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -57.1 -32.22 66.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 31' ' ' ALA . 17.3 tt0 -80.52 -67.8 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 30' ' ' GLU . . . -34.31 -40.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.478 ' O ' ' N ' ' A' ' 36' ' ' GLN . 11.6 mt-30 -60.19 -53.33 58.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.507 HG23 ' N ' ' A' ' 34' ' ' ARG . 10.4 t -56.84 -24.84 54.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.507 ' N ' HG23 ' A' ' 33' ' ' THR . 15.2 mtp180 -79.05 -31.8 44.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.3 mt -114.01 14.27 18.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 32' ' ' GLN . 0.8 OUTLIER -84.91 108.05 17.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.44 -0.36 85.11 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.464 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -71.09 170.55 12.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.85 0.357 . . . . 0.0 110.856 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.455 ' CZ ' ' HB2' ' A' ' 39' ' ' ARG . 1.0 OUTLIER -57.99 145.95 34.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 47.0 m170 -69.43 119.73 14.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 131.91 -26.34 3.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.461 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 29.8 ttm -53.96 149.64 8.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.438 ' CB ' HG21 ' A' ' 59' ' ' VAL . 15.3 p90 -155.27 165.49 36.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.408 ' HB2' ' CG ' ' A' ' 23' ' ' MET . 4.4 pp -168.8 152.72 5.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 40.5 t -123.14 117.26 51.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.412 ' NH2' ' CA ' ' A' ' 28' ' ' ARG . 6.7 ptt85 -119.83 177.07 5.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -77.65 117.39 19.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.7 t -65.33 115.73 5.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 t -75.48 -44.03 46.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.796 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -44.26 -51.32 8.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 93.8 m -129.09 142.51 45.42 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.631 0.729 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 140.01 41.64 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.71 2.273 . . . . 0.0 112.296 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.74 -46.39 3.46 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.508 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -56.93 161.4 2.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.827 0.346 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -131.5 165.9 22.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.8 t -138.49 110.77 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.103 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.422 ' C ' ' CD2' ' A' ' 57' ' ' LEU . 5.7 tt -83.38 108.51 16.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.4 m -86.39 118.54 25.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.438 HG21 ' CB ' ' A' ' 43' ' ' PHE . 1.1 t -122.68 145.31 29.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.1 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.3 t -92.38 108.69 20.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.432 ' CG ' ' CG2' ' A' ' 102' ' ' THR . 19.8 tt0 -153.44 150.71 29.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 58.86 47.31 12.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 72.3 m 45.87 37.23 3.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.97 176.64 12.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.839 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 38.9 t -104.93 97.06 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 59' ' ' VAL . 18.6 m -69.87 148.55 48.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -124.4 91.74 3.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.571 ' CE2' HD11 ' A' ' 100' ' ' LEU . 38.8 m-85 -85.34 99.63 11.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 96.2 mt -67.52 142.92 15.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.0 mp -118.48 108.53 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -67.02 144.07 56.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.7 t -102.89 105.48 15.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.886 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 19.8 mt -79.58 142.84 58.09 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.628 0.728 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -1.92 9.28 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.656 2.237 . . . . 0.0 112.365 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -100.79 46.76 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? 42.18 43.49 2.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -147.93 160.5 42.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -113.47 157.3 22.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -138.23 105.38 5.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.3 tt -88.82 101.25 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 76.12 -103.79 1.74 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.527 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -119.62 18.05 12.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.765 0.317 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 -125.46 156.46 38.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -127.63 151.66 48.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.57 ' CD2' ' HB2' ' A' ' 91' ' ' LEU . 98.4 m-85 -141.32 167.16 22.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -64.13 -32.21 73.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.569 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 2.9 p80 -175.98 -174.99 0.69 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.483 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 8.7 mt -56.55 -60.11 10.2 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.623 0.725 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 54.0 Cg_endo -69.76 10.01 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.632 2.222 . . . . 0.0 112.378 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.569 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -110.04 -21.43 12.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.081 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.57 ' HB2' ' CD2' ' A' ' 85' ' ' PHE . 3.1 pp -89.51 -40.9 12.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 18.8 mt -60.77 -34.87 75.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.455 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 5.5 pt-20 -70.35 -24.63 63.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -85.92 -22.87 27.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -84.31 -21.74 30.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.455 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 18.6 mtpt -53.91 -20.58 6.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.432 HG13 ' N ' ' A' ' 98' ' ' HIS . 41.0 pt -111.24 -34.08 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.432 ' N ' HG13 ' A' ' 97' ' ' ILE . 51.4 m170 -90.26 134.75 34.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.548 ' CD2' HG23 ' A' ' 104' ' ' THR . 27.3 m-85 -86.5 114.42 23.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.571 HD11 ' CE2' ' A' ' 68' ' ' TYR . 11.1 mt -49.03 -74.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -114.62 -62.88 1.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.432 ' CG2' ' CG ' ' A' ' 61' ' ' GLU . 2.5 t -133.21 -1.23 3.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.2 t -150.37 179.42 8.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.548 HG23 ' CD2' ' A' ' 99' ' ' TYR . 38.5 p -120.45 177.72 4.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 86.4 mt -85.87 103.88 15.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.5 mm -80.99 -71.97 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -145.71 146.1 27.95 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.621 0.724 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 133.55 25.68 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.686 2.257 . . . . 0.0 112.323 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -39.56 153.27 0.19 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.557 0.694 . . . . 0.0 111.104 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 148.1 64.26 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.683 2.255 . . . . 0.0 112.353 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.5 t -147.67 114.34 6.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.841 0.353 . . . . 0.0 110.895 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.7 p -138.83 169.73 17.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.826 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.52 118.93 0.48 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.4 p -147.21 105.84 3.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.905 0.383 . . . . 0.0 110.832 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -81.27 -46.53 14.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.48 -156.73 38.45 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.49 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -158.13 128.28 6.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.772 0.32 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.8 p -144.35 166.95 23.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.6 m -54.66 -174.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.883 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -38.58 101.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.062 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -128.57 108.04 10.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -171.88 172.97 4.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -105.14 87.13 2.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.501 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 36.4 m -47.85 -24.61 1.04 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.1 p -80.49 -39.05 28.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.849 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.602 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 7.8 t70 -64.05 94.94 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.571 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 5.5 mtm105 -62.72 -32.24 73.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.407 ' O ' ' NE ' ' A' ' 111' ' ' ARG . 33.0 t -73.67 6.65 2.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -116.72 -25.63 7.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.144 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.602 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 52.8 p-90 -130.41 -41.42 1.22 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.483 ' HB2' ' CZ3' ' A' ' 21' ' ' TRP . 9.2 t80 -69.95 100.75 1.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.641 ' O ' ' C ' ' A' ' 24' ' ' GLY . 4.5 mmt -88.93 8.68 28.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.641 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 10.05 -84.14 0.0 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.515 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.524 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.7 Cg_endo -69.73 76.57 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 2.229 . . . . 0.0 112.369 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.465 HG13 ' CB ' ' A' ' 46' ' ' ARG . 0.3 OUTLIER -145.92 138.49 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.7 m -81.87 142.45 32.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.3 ttt85 -48.35 -52.28 22.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -52.62 -31.5 36.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 32' ' ' GLN . 5.7 tt0 -72.85 -70.63 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 30' ' ' GLU . . . -36.61 -28.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 30' ' ' GLU . 4.2 mt-30 -74.28 -52.44 12.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.5 t -61.55 -23.77 66.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -80.15 -27.27 39.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.464 ' CD1' HD22 ' A' ' 44' ' ' LEU . 13.8 mt -112.78 9.43 19.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -86.89 111.81 21.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.65 -26.55 5.8 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.462 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -48.98 160.16 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.78 152.08 4.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 60.2 m170 -71.4 114.22 9.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.811 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 140.63 -27.24 2.49 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.442 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 32.4 ttm -58.52 146.98 33.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.74 0.305 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.434 ' CE1' HD22 ' A' ' 92' ' ' LEU . 3.8 p90 -156.34 171.99 19.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.868 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.464 HD22 ' CD1' ' A' ' 35' ' ' LEU . 4.2 pp -174.38 145.85 1.02 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.6 t -107.62 118.77 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.465 ' CB ' HG13 ' A' ' 26' ' ' VAL . 1.5 ptm180 -117.48 175.7 5.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -85.99 127.45 34.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t -66.67 128.47 36.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.0 m -84.27 -41.68 16.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.906 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 72.3 p -41.35 -53.01 3.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.0 m -145.66 142.9 18.56 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.622 0.725 . . . . 0.0 110.821 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 122.25 8.93 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.712 2.275 . . . . 0.0 112.348 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 126.51 -55.21 0.74 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -67.69 161.16 26.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.873 0.368 . . . . 0.0 110.816 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -125.53 163.87 21.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.453 ' CG1' ' NH1' ' A' ' 46' ' ' ARG . 37.7 t -130.19 118.35 43.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.147 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.514 ' O ' ' CD1' ' A' ' 57' ' ' LEU . 2.5 tm? -92.18 101.24 13.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.44 ' CB ' ' CD1' ' A' ' 35' ' ' LEU . 4.6 m -83.6 121.47 27.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.458 HG22 ' CD1' ' A' ' 57' ' ' LEU . 1.7 t -125.74 150.65 31.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.133 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.0 t -97.7 106.27 18.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.452 ' CG ' HG22 ' A' ' 102' ' ' THR . 8.1 tt0 -155.6 142.08 18.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 61.8 53.22 3.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.0 m 41.65 33.52 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -153.81 178.02 10.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.53 HG11 ' CE1' ' A' ' 67' ' ' HIS . 38.8 t -103.4 99.8 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 59' ' ' VAL . 37.4 m -70.1 88.35 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.53 ' CE1' HG11 ' A' ' 65' ' ' VAL . 96.7 m-70 -75.2 104.32 5.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.858 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -100.06 96.69 7.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.943 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 98.0 mt -57.33 146.53 6.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.409 ' CG2' ' HB3' ' A' ' 78' ' ' PHE . 5.4 mp -120.71 107.59 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.141 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -69.94 140.77 53.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.6 t -96.59 107.0 19.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 33.1 mt -76.79 151.26 82.26 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.583 0.706 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -16.85 37.86 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.737 2.291 . . . . 0.0 112.341 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -92.7 41.84 1.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 31.7 mtt85 45.15 44.69 8.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -135.74 163.58 29.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.417 ' CE2' ' HG ' ' A' ' 88' ' ' LEU . 60.6 m-85 -115.4 139.5 49.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.5 tttm -122.94 104.12 9.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.9 tt -94.04 102.97 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.98 -108.98 2.77 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.502 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -118.08 22.38 12.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.756 0.312 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -129.66 161.02 31.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -132.16 144.2 50.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.571 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 98.4 m-85 -131.45 175.3 9.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -71.57 -31.39 66.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.566 ' CE1' ' HB3' ' A' ' 90' ' ' ALA . 2.9 p80 -175.93 -175.05 0.7 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.486 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 8.7 mt -56.64 -60.09 10.33 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.573 0.702 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.0 Cg_endo -69.82 9.7 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.66 2.24 . . . . 0.0 112.29 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.566 ' HB3' ' CE1' ' A' ' 87' ' ' HIS . . . -109.31 -23.02 11.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.083 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.571 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.2 pp -89.09 -40.83 12.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.434 HD22 ' CE1' ' A' ' 43' ' ' PHE . 11.2 mt -61.24 -35.66 77.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.405 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 6.6 pt-20 -70.71 -24.76 62.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.508 ' CE2' ' CE1' ' A' ' 98' ' ' HIS . 22.4 t80 -86.72 -15.93 37.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.557 ' CE1' HD21 ' A' ' 100' ' ' LEU . 3.5 m-85 -91.28 -23.1 20.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.405 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 7.2 mtpm? -52.14 -21.66 3.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.943 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.426 HG13 ' N ' ' A' ' 98' ' ' HIS . 48.0 pt -109.17 -33.1 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.508 ' CE1' ' CE2' ' A' ' 94' ' ' PHE . 63.6 m170 -88.11 139.43 30.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.561 ' CD2' HG22 ' A' ' 104' ' ' THR . 11.3 m-85 -92.95 113.95 26.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.557 HD21 ' CE1' ' A' ' 95' ' ' TYR . 5.7 mt -50.39 -69.2 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.848 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -121.55 -62.15 1.45 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.452 HG22 ' CG ' ' A' ' 61' ' ' GLU . 13.5 t -129.12 -7.34 4.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.152 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 4.1 t -148.78 179.1 8.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.561 HG22 ' CD2' ' A' ' 99' ' ' TYR . 27.1 p -122.49 -179.59 4.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.0 mt -86.25 109.42 18.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 25.8 mm -87.86 -71.1 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -146.74 147.87 31.44 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.65 0.738 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 144.8 55.18 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.673 2.249 . . . . 0.0 112.378 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -47.19 161.17 0.32 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.606 0.717 . . . . 0.0 111.088 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 148.49 65.09 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.674 2.249 . . . . 0.0 112.364 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 111' ' ' ARG . 3.0 mmm180 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 m -88.6 82.34 6.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.857 0.36 . . . . 0.0 110.864 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.6 p -171.59 158.35 5.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.78 149.48 18.51 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.46 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.9 p -133.22 113.11 12.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.879 0.371 . . . . 0.0 110.834 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.1 m -89.8 163.68 14.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.45 62.54 0.53 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.9 mmt -88.91 -56.15 3.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.792 0.33 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.8 t -71.66 135.87 47.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 55.2 p -93.47 148.21 22.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.804 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 58.74 52.21 6.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.112 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -106.58 96.88 6.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -150.22 166.31 30.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -85.89 103.94 15.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.43 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 14.0 p -67.55 -32.17 72.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.5 p -76.92 -38.81 52.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.567 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 25.1 t70 -60.4 92.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.565 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 21.6 mtm180 -64.38 -36.3 83.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.4 t -67.86 -1.2 5.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.41 ' CB ' ' OD2' ' A' ' 17' ' ' ASP . . . -105.12 -27.16 11.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.069 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.567 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 55.1 p-90 -129.26 -44.74 1.25 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.494 ' N ' ' O ' ' A' ' 18' ' ' ARG . 12.3 t80 -61.31 106.69 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.957 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.508 ' O ' ' C ' ' A' ' 24' ' ' GLY . 5.0 mmt -84.62 -4.19 58.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.508 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 29.0 -91.68 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.498 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.503 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.9 Cg_endo -69.77 78.97 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.631 2.221 . . . . 0.0 112.392 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.473 ' CG2' ' HB3' ' A' ' 23' ' ' MET . 25.1 t -154.35 142.08 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.473 ' N ' HG13 ' A' ' 26' ' ' VAL . 65.4 m -105.84 151.71 24.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -41.94 -48.51 4.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -50.52 -48.63 57.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 31' ' ' ALA . 13.7 tt0 -65.51 -66.65 0.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 30' ' ' GLU . . . -33.58 -37.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.083 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 36' ' ' GLN . 5.3 mt-30 -63.83 -53.46 50.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.941 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.473 HG22 ' N ' ' A' ' 34' ' ' ARG . 6.4 t -60.37 -25.79 66.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.473 ' N ' HG22 ' A' ' 33' ' ' THR . 7.1 mtt180 -78.61 -28.0 45.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.402 ' CD1' HD21 ' A' ' 44' ' ' LEU . 21.6 mt -117.66 13.96 14.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 32' ' ' GLN . 0.4 OUTLIER -85.08 117.67 24.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.917 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.84 17.09 74.97 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -88.8 173.1 8.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.903 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.1 ptm85 -62.83 144.01 57.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.816 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 56.3 m170 -64.67 124.85 22.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.83 -30.38 4.64 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.489 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.5 ttm -52.72 138.37 29.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.462 ' CB ' HG23 ' A' ' 59' ' ' VAL . 3.2 p90 -143.52 169.9 16.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.467 ' CD1' ' HG3' ' A' ' 23' ' ' MET . 3.2 pp -168.81 143.67 3.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 26.0 t -116.05 114.85 47.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.12 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.421 ' NH1' ' O ' ' A' ' 26' ' ' VAL . 16.2 ptt85 -117.74 163.43 16.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -70.52 123.22 21.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.3 t -65.32 134.93 54.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 60.9 p -99.41 -38.05 8.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.861 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 79.1 p -77.71 -52.78 8.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.155 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 98.1 m -85.07 132.72 44.7 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.599 0.714 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 53' ' ' GLY . 53.7 Cg_endo -69.8 146.88 61.26 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.65 2.233 . . . . 0.0 112.34 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 52' ' ' PRO . . . 33.71 41.05 0.15 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.464 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -126.21 177.16 6.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.866 0.365 . . . . 0.0 110.837 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -139.73 161.92 36.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.5 t -131.38 112.65 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.475 ' CD1' HG21 ' A' ' 59' ' ' VAL . 2.5 tm? -88.99 100.41 13.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.6 m -84.66 123.76 30.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.475 HG21 ' CD1' ' A' ' 57' ' ' LEU . 0.9 OUTLIER -124.35 142.25 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.173 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.0 t -89.56 116.47 27.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.555 ' CG ' ' CG2' ' A' ' 102' ' ' THR . 17.0 tp10 -167.7 154.28 7.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 48.3 m-20 60.54 44.91 11.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.3 m 46.27 32.35 1.48 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.7 ptt-85 -151.44 -177.99 6.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 97.4 t -108.57 100.36 10.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 59' ' ' VAL . 5.0 m -69.19 141.26 54.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -123.06 95.55 4.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -96.76 100.63 12.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.462 HG22 ' N ' ' A' ' 70' ' ' ILE . 88.5 mt -67.31 142.55 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.133 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.474 ' CG2' ' HB3' ' A' ' 78' ' ' PHE . 4.7 mp -115.39 105.05 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -64.87 140.62 58.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.7 t -97.95 107.02 19.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.438 ' CB ' ' OD1' ' A' ' 75' ' ' ASN . 53.5 mt -79.41 150.51 73.75 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.618 0.723 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -13.61 34.9 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.265 . . . . 0.0 112.374 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.438 ' OD1' ' CB ' ' A' ' 73' ' ' LEU . 4.1 p30 -94.02 40.97 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? 45.27 38.85 3.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -132.21 150.95 52.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.474 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 57.8 m-85 -105.66 138.98 40.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -123.91 104.9 9.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 7.7 tt -97.57 104.08 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.21 -109.72 2.86 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -117.06 27.74 8.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.764 0.316 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -134.09 162.3 32.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -138.62 139.7 38.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.653 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 93.2 m-85 -129.05 174.36 9.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -69.51 -36.39 76.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.452 ' ND1' ' HB2' ' A' ' 90' ' ' ALA . 2.6 p80 -170.7 -175.02 1.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.49 ' C ' ' H ' ' A' ' 90' ' ' ALA . 8.7 mt -56.05 -60.46 8.79 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.604 0.716 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.5 Cg_endo -69.76 15.23 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.722 2.282 . . . . 0.0 112.332 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.49 ' H ' ' C ' ' A' ' 88' ' ' LEU . . . -114.15 -24.22 9.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.653 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.6 pp -87.76 -41.83 13.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.453 ' N ' HD11 ' A' ' 91' ' ' LEU . 24.2 mt -56.9 -35.84 69.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -72.63 -33.15 66.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -75.92 -23.78 55.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -80.22 -18.86 48.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -53.13 -21.33 4.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.441 HG13 ' N ' ' A' ' 98' ' ' HIS . 46.2 pt -111.72 -33.81 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.131 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.441 ' N ' HG13 ' A' ' 97' ' ' ILE . 50.3 m170 -90.98 128.92 37.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.56 ' CD2' HG23 ' A' ' 104' ' ' THR . 21.9 m-85 -85.05 113.78 21.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.1 mp -44.49 -62.63 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -127.67 -64.78 0.96 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.555 ' CG2' ' CG ' ' A' ' 61' ' ' GLU . 13.6 t -130.8 -5.39 4.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.449 ' CG2' ' OE1' ' A' ' 61' ' ' GLU . 6.0 t -147.24 170.71 16.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.56 HG23 ' CD2' ' A' ' 99' ' ' TYR . 3.1 p -112.8 178.15 4.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.161 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.423 ' CD1' HD23 ' A' ' 92' ' ' LEU . 83.2 mt -81.76 123.2 28.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 31.6 mm -100.64 -65.92 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -155.66 150.65 20.75 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.678 0.751 . . . . 0.0 110.827 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 139.47 40.39 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.673 2.249 . . . . 0.0 112.36 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.06 162.73 2.68 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.607 0.718 . . . . 0.0 111.076 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 148.76 65.72 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.679 2.252 . . . . 0.0 112.355 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.842 -179.953 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.6 p -93.75 146.01 24.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.879 0.371 . . . . 0.0 110.908 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.4 p -107.7 -54.57 2.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.71 96.24 0.1 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.8 p -168.58 128.17 1.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.832 0.348 . . . . 0.0 110.835 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.6 p -122.59 175.49 6.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.87 -170.81 21.11 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.437 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.6 139.07 50.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.772 0.32 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.3 p -99.63 123.26 43.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.866 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 64.8 m -149.87 142.91 24.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 59.36 48.45 10.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.118 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.2 tpp180 -102.4 94.27 5.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.563 ' CE1' ' HE2' ' A' ' 96' ' ' LYS . 26.3 p90 -153.22 164.76 37.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -93.43 93.46 8.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.417 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 4.9 m -59.05 -18.36 34.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.4 m -84.3 -38.91 19.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.824 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.601 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 44.3 t0 -62.6 91.83 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.558 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 12.1 mtp180 -61.42 -35.63 78.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 t -71.67 5.08 2.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.41 ' H ' ' C ' ' A' ' 18' ' ' ARG . . . -115.48 -25.59 7.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.601 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 61.5 p-90 -130.16 -42.15 1.23 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.938 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.569 ' HB2' ' CZ3' ' A' ' 21' ' ' TRP . 22.5 t80 -69.0 104.42 2.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.531 ' O ' ' N ' ' A' ' 25' ' ' PRO . 4.7 mmt -86.37 -6.4 58.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.524 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 27.54 -90.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.422 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.531 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.6 Cg_endo -69.84 79.22 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.311 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.501 ' CG2' ' HB3' ' A' ' 23' ' ' MET . 9.7 t -150.77 125.54 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.1 t -75.98 151.88 37.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.4 ttt85 -52.36 -49.29 64.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -55.05 -32.66 62.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 32' ' ' GLN . 13.4 tt0 -75.49 -69.15 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 30' ' ' GLU . . . -37.08 -30.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 30' ' ' GLU . 4.9 mt-30 -69.57 -50.38 45.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 30' ' ' GLU . 1.0 OUTLIER -64.79 -21.09 66.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -77.39 -29.24 53.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.826 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.416 ' CD2' ' HG2' ' A' ' 42' ' ' MET . 12.4 mt -116.1 5.18 13.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -80.79 113.81 19.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.82 -27.73 7.81 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -52.82 164.63 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.857 0.36 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.41 151.53 23.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.402 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 39.8 m170 -67.09 125.47 26.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 131.35 -40.55 1.62 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.47 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.416 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 29.0 ttm -45.43 146.92 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.818 0.342 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -150.21 173.92 13.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.484 ' C ' ' CD1' ' A' ' 44' ' ' LEU . 1.2 pp -173.88 146.06 1.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.5 t -118.67 113.12 40.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.5 ptt85 -117.38 176.15 5.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -79.8 127.74 32.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.452 ' CB ' ' HB3' ' A' ' 54' ' ' ASP . 46.1 t -57.06 175.77 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.797 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.5 m -127.11 -57.35 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.2 p -76.45 -9.91 59.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.166 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 72.3 m -118.74 134.83 23.51 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.569 0.699 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 53' ' ' GLY . 54.2 Cg_endo -69.78 137.8 36.25 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.657 2.238 . . . . 0.0 112.366 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 52' ' ' PRO . . . 37.07 39.63 0.45 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.452 ' HB3' ' CB ' ' A' ' 48' ' ' SER . 1.6 t70 -110.5 173.68 6.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.867 0.365 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -135.06 162.59 32.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.451 ' CG1' ' HB3' ' A' ' 67' ' ' HIS . 96.5 t -139.86 106.67 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.7 tp -76.37 104.31 6.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.443 ' HB3' ' CG1' ' A' ' 65' ' ' VAL . 51.0 m -94.77 127.04 40.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.6 m -130.2 155.83 41.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.155 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.3 t -93.88 116.72 29.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.517 ' CG ' ' CG2' ' A' ' 102' ' ' THR . 7.9 tp10 -168.47 145.5 3.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 63.28 32.07 15.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.8 t 60.55 27.48 17.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.37 -179.07 6.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.443 ' CG1' ' HB3' ' A' ' 58' ' ' SER . 48.7 t -113.9 104.21 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.108 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.9 m -73.95 110.98 8.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.451 ' HB3' ' CG1' ' A' ' 56' ' ' VAL . 94.7 m-70 -92.08 97.99 11.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -91.47 100.16 12.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 67.6 mt -63.57 129.85 27.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.126 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.9 mp -107.32 109.66 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 79' ' ' LYS . 30.4 m120 -76.61 129.28 36.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.7 t -90.69 106.15 18.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.495 ' HB2' ' ND2' ' A' ' 75' ' ' ASN . 21.0 mt -73.15 144.84 85.2 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.573 0.701 . . . . 0.0 110.936 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -2.13 9.64 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.718 2.278 . . . . 0.0 112.32 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.495 ' ND2' ' HB2' ' A' ' 73' ' ' LEU . 0.6 OUTLIER -98.1 44.24 1.04 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.405 ' HD2' ' N ' ' A' ' 76' ' ' ARG . 1.3 mpt_? 49.77 31.39 4.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 73' ' ' LEU . 6.8 mpt_? -144.1 163.22 34.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -111.48 -178.23 3.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 71' ' ' ASN . 13.0 tttp -158.83 105.23 1.78 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.9 tt -87.99 100.62 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.179 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.34 -99.94 0.93 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.497 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -121.65 24.83 9.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.757 0.313 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -129.33 157.61 41.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -129.48 151.97 49.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.579 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 97.9 m-85 -147.31 163.02 37.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.65 -33.62 68.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.55 ' CE1' ' HB3' ' A' ' 90' ' ' ALA . 2.1 p80 -176.04 -174.98 0.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.514 ' C ' ' H ' ' A' ' 90' ' ' ALA . 9.3 mt -55.28 -58.99 12.27 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 54.5 Cg_endo -69.71 21.65 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.674 2.25 . . . . 0.0 112.382 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.55 ' HB3' ' CE1' ' A' ' 87' ' ' HIS . . . -119.67 -33.88 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.579 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.9 pp -77.65 -43.11 32.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.45 ' N ' HD11 ' A' ' 91' ' ' LEU . 13.7 mt -58.59 -44.81 89.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -62.05 -34.76 76.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.591 ' CE2' ' CE1' ' A' ' 98' ' ' HIS . 42.2 t80 -73.55 -28.06 61.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.427 ' CD1' HD22 ' A' ' 100' ' ' LEU . 3.2 m-85 -76.51 -14.76 60.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.563 ' HE2' ' CE1' ' A' ' 13' ' ' PHE . 69.3 mttt -54.55 -20.28 7.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.445 HG13 ' N ' ' A' ' 98' ' ' HIS . 43.4 pt -114.99 -34.0 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.181 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.591 ' CE1' ' CE2' ' A' ' 94' ' ' PHE . 61.3 m170 -87.0 128.34 35.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.55 ' CD2' HG23 ' A' ' 104' ' ' THR . 23.0 m-85 -84.09 113.43 21.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.427 HD22 ' CD1' ' A' ' 95' ' ' TYR . 10.4 mt -47.15 -68.45 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -120.78 -66.56 1.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.517 ' CG2' ' CG ' ' A' ' 61' ' ' GLU . 14.1 t -129.02 -7.05 4.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.1 t -145.3 170.73 15.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.197 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.55 HG23 ' CD2' ' A' ' 99' ' ' TYR . 7.7 p -111.01 -177.23 3.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.182 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 99.5 mt -90.27 118.26 29.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 28.8 mm -96.47 -68.2 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -152.74 147.79 19.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.611 0.719 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 137.23 34.99 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.654 2.236 . . . . 0.0 112.35 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -45.95 151.43 0.88 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.591 0.71 . . . . 0.0 111.101 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 148.08 64.16 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.719 2.279 . . . . 0.0 112.353 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.969 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -122.96 97.15 5.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.88 0.371 . . . . 0.0 110.851 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -149.02 114.91 5.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.46 177.93 16.51 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.468 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.8 p -91.58 40.96 1.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 0.0 110.873 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 m -69.92 -47.3 62.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.844 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.14 -174.86 20.7 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.2 ptp -148.04 140.6 24.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.743 0.306 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.3 m -109.08 161.68 14.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.855 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.7 m -100.86 137.1 39.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 69.31 52.96 0.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.112 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -108.55 92.0 3.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.511 ' CD1' ' O ' ' A' ' 106' ' ' ILE . 53.1 p90 -149.44 168.39 23.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -87.6 128.44 35.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.501 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 18.6 p -94.42 -24.48 17.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.81 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.7 p -81.63 -39.18 24.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.578 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 32.9 t0 -60.42 91.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.552 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 19.3 mtt180 -59.55 -32.81 70.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.8 t -73.28 3.95 5.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.27 -27.2 8.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.092 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.578 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 46.2 p-90 -128.12 -42.27 1.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.567 ' HB2' ' CZ3' ' A' ' 21' ' ' TRP . 37.4 t80 -75.35 104.76 6.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.637 ' O ' ' C ' ' A' ' 24' ' ' GLY . 3.0 mmt -90.25 12.49 17.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.895 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.637 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 10.91 -83.07 0.0 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.478 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.557 ' N ' ' O ' ' A' ' 23' ' ' MET . 54.4 Cg_endo -69.7 77.11 1.07 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.691 2.261 . . . . 0.0 112.374 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.471 ' CG2' ' HB3' ' A' ' 23' ' ' MET . 2.5 t -146.56 144.46 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 46.5 m -90.61 152.04 21.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -56.18 -47.93 77.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.404 ' HG3' ' N ' ' A' ' 30' ' ' GLU . 8.2 pt20 -60.85 -32.38 71.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 32' ' ' GLN . 11.9 tt0 -69.64 -70.22 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.455 ' CB ' ' CD ' ' A' ' 46' ' ' ARG . . . -35.62 -31.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.069 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.5 ' O ' ' N ' ' A' ' 36' ' ' GLN . 6.8 mt-30 -69.26 -48.23 62.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.49 HG22 ' N ' ' A' ' 34' ' ' ARG . 12.8 t -61.08 -25.46 66.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.49 ' N ' HG22 ' A' ' 33' ' ' THR . 2.0 mtp-105 -80.94 -33.42 34.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.1 mt -107.96 8.54 28.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 32' ' ' GLN . 2.9 tp60 -87.37 112.63 22.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.36 -8.26 58.83 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.519 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -67.05 164.14 18.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.823 0.344 . . . . 0.0 110.933 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -56.83 138.06 53.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -57.19 122.4 12.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 132.97 -45.17 1.14 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 35.0 ttm -38.43 152.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -157.75 170.24 22.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.443 ' C ' ' CD1' ' A' ' 44' ' ' LEU . 2.6 pp -174.59 147.38 1.08 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 23' ' ' MET . 14.4 t -112.39 105.8 19.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.455 ' CD ' ' CB ' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -105.2 174.39 5.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -68.47 131.12 44.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.44 ' HB3' ' C ' ' A' ' 54' ' ' ASP . 4.9 p -48.24 176.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.8 t -115.0 108.19 16.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.0 p 50.24 36.98 13.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.163 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.4 m -124.2 135.78 26.83 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.61 0.719 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 53' ' ' GLY . 53.7 Cg_endo -69.77 131.7 21.77 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.702 2.268 . . . . 0.0 112.327 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 52' ' ' PRO . . . 32.45 61.16 0.36 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.44 ' C ' ' HB3' ' A' ' 48' ' ' SER . 15.0 m-20 -134.76 176.86 8.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -145.06 177.86 8.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.406 ' CG1' ' NH1' ' A' ' 46' ' ' ARG . 19.7 t -146.09 117.1 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.155 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.475 ' CB ' HD11 ' A' ' 70' ' ' ILE . 2.2 tm? -99.24 100.88 12.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.1 m -92.91 146.81 23.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.44 ' CG1' HD12 ' A' ' 57' ' ' LEU . 1.8 m -142.6 164.58 17.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.9 t -99.5 112.9 25.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -169.72 158.96 7.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 51.12 51.91 16.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.8 t 40.01 30.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.2 ptt85 -157.25 -176.53 6.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.6 t -109.86 112.33 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.8 m -82.4 94.18 7.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -78.43 103.3 8.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -97.77 91.37 5.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.953 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.513 ' CG2' ' N ' ' A' ' 70' ' ' ILE . 2.3 mm -46.76 160.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.143 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.513 ' N ' ' CG2' ' A' ' 69' ' ' ILE . 4.9 mp -134.18 93.77 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -69.6 135.13 49.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.3 t -88.5 123.01 32.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 34.4 mt -89.86 151.05 44.93 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.618 0.723 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 2.0 3.91 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -111.01 46.03 1.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 42.02 44.05 2.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -140.72 164.84 29.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.68 ' CE2' ' CD2' ' A' ' 88' ' ' LEU . 43.5 m-85 -114.61 156.35 24.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -131.1 103.37 6.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.4 tt -92.89 99.19 9.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.46 -104.4 1.67 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.523 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.33 4.99 14.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.735 0.303 . . . . 0.0 110.854 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -116.42 163.27 16.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -136.54 157.54 46.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.609 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 97.7 m-85 -143.77 -175.13 4.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -84.27 -28.17 27.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.574 ' CE1' ' HB3' ' A' ' 90' ' ' ALA . 3.0 p80 -175.75 -175.01 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.845 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.68 ' CD2' ' CE2' ' A' ' 78' ' ' PHE . 2.8 mm? -57.18 -60.06 10.83 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.566 0.698 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 54.2 Cg_endo -69.74 8.58 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.624 2.216 . . . . 0.0 112.369 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.574 ' HB3' ' CE1' ' A' ' 87' ' ' HIS . . . -106.5 -20.51 13.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.609 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.0 pp -99.69 -39.39 8.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.1 mt -62.3 -35.93 80.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.468 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 7.0 pt-20 -74.65 -25.73 59.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.579 ' CE2' ' CE1' ' A' ' 98' ' ' HIS . 32.2 t80 -83.48 -19.58 35.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.568 ' CD1' HD23 ' A' ' 100' ' ' LEU . 13.3 m-85 -89.88 -22.11 22.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.468 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 24.0 mtpt -50.94 -19.01 0.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.421 HG13 ' N ' ' A' ' 98' ' ' HIS . 46.9 pt -114.53 -33.97 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.579 ' CE1' ' CE2' ' A' ' 94' ' ' PHE . 54.9 m170 -83.49 146.44 28.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.467 ' CD2' HG22 ' A' ' 104' ' ' THR . 19.7 m-85 -100.2 114.47 27.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.568 HD23 ' CD1' ' A' ' 95' ' ' TYR . 6.0 mt -55.43 -68.39 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -118.82 -66.86 1.03 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 5.8 t -128.66 -5.3 5.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 t -150.76 175.07 12.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.467 HG22 ' CD2' ' A' ' 99' ' ' TYR . 11.4 p -119.69 -178.05 3.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 48.8 mt -88.12 118.08 27.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.511 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 30.1 mm -93.85 -65.36 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -150.55 145.13 18.07 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.673 0.749 . . . . 0.0 110.849 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.464 ' HD3' ' CD2' ' A' ' 13' ' ' PHE . 53.0 Cg_endo -69.76 136.35 32.77 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.712 2.275 . . . . 0.0 112.311 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -52.4 149.01 11.01 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.594 0.712 . . . . 0.0 111.092 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.443 ' O ' ' NH1' ' A' ' 34' ' ' ARG . 54.2 Cg_endo -69.74 146.92 61.81 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.705 2.27 . . . . 0.0 112.35 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -129.08 146.83 50.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 110.84 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.0 m -156.34 138.98 15.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.99 -175.89 47.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.463 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.7 p -109.66 177.12 4.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.88 0.371 . . . . 0.0 110.806 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -94.02 147.84 22.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.51 162.72 27.96 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 9' ' ' SER . 10.1 tmm? -123.81 -60.12 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.835 0.35 . . . . 0.0 110.913 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 8' ' ' MET . 31.0 t -35.65 149.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 91.6 p -83.97 -47.24 11.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -96.49 95.53 8.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -110.44 99.32 8.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -171.11 156.92 4.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -95.21 100.65 12.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.0 m -61.73 -9.99 7.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.5 p -90.24 -27.36 19.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.582 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 25.1 t0 -75.47 92.62 2.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.549 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 19.5 mtp180 -60.17 -32.26 70.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -74.95 9.02 2.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -121.03 -26.01 5.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.582 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 61.8 p-90 -129.32 -40.07 1.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.484 ' HB2' ' CZ3' ' A' ' 21' ' ' TRP . 10.3 t80 -73.78 98.92 3.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.949 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.673 ' O ' ' C ' ' A' ' 24' ' ' GLY . 3.5 mmt -94.71 19.86 9.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.673 ' C ' ' O ' ' A' ' 23' ' ' MET . . . -4.22 -71.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.471 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.515 ' N ' ' O ' ' A' ' 23' ' ' MET . 54.0 Cg_endo -69.74 73.35 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.723 2.282 . . . . 0.0 112.346 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.536 ' CG1' ' N ' ' A' ' 27' ' ' SER . 2.8 t -141.67 158.49 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.536 ' N ' ' CG1' ' A' ' 26' ' ' VAL . 69.2 m -111.32 132.81 54.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 27' ' ' SER . 4.1 tpt180 -35.25 -56.8 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -47.14 -41.63 18.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' A' ' 32' ' ' GLN . 9.8 tt0 -65.93 -67.0 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.446 ' CB ' ' HD3' ' A' ' 46' ' ' ARG . . . -35.21 -31.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.089 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' A' ' 30' ' ' GLU . 3.0 mt-30 -72.94 -55.25 6.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.2 t -58.53 -24.97 61.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.0 mtp180 -78.48 -27.64 46.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.443 ' CD2' ' HG2' ' A' ' 42' ' ' MET . 12.7 mt -116.3 9.66 14.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 32' ' ' GLN . 0.8 OUTLIER -83.09 114.61 21.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.97 15.08 62.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.464 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -85.49 161.4 19.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.776 0.322 . . . . 0.0 110.949 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -46.94 132.6 11.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -55.68 125.26 20.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.38 -38.73 2.22 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.48 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.443 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 28.2 ttm -39.47 141.27 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.797 0.332 . . . . 0.0 110.861 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -148.17 169.65 19.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.461 ' CD1' ' HG2' ' A' ' 46' ' ' ARG . 2.3 pp -175.0 148.59 1.03 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.1 t -116.75 114.38 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.461 ' HG2' ' CD1' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -115.83 169.55 9.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -85.34 115.63 23.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -46.63 172.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 46.0 t -118.05 -57.81 2.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.8 p -88.22 21.23 2.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.127 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 60.6 m -131.88 128.93 21.74 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.598 0.713 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 53' ' ' GLY . 54.2 Cg_endo -69.77 128.28 15.8 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.675 2.25 . . . . 0.0 112.365 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 52' ' ' PRO . . . 36.88 46.32 1.17 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.474 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -120.12 163.73 17.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.36 . . . . 0.0 110.838 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -122.39 164.49 17.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.3 t -138.77 105.57 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.085 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.551 ' CD1' ' CG1' ' A' ' 59' ' ' VAL . 2.3 tm? -83.21 107.53 15.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.8 m -97.26 145.69 25.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.551 ' CG1' ' CD1' ' A' ' 57' ' ' LEU . 1.1 m -149.12 151.03 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.123 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.4 t -88.71 104.03 16.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.45 ' HG2' ' N ' ' A' ' 62' ' ' ASN . 7.5 tt0 -150.73 147.17 27.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.867 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.45 ' N ' ' HG2' ' A' ' 61' ' ' GLU . 18.2 m-80 57.77 53.14 7.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.3 m 43.55 29.67 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -151.14 -179.62 7.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 88.6 t -111.13 95.82 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.63 117.84 6.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -98.43 93.96 6.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -89.6 99.33 12.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 78.5 mt -72.06 129.91 35.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.421 ' CG2' ' HB3' ' A' ' 78' ' ' PHE . 3.4 mp -101.61 104.34 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -68.39 134.26 49.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.3 t -86.78 114.09 23.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 47.6 mt -83.22 151.36 62.82 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.609 0.719 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -23.02 31.22 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.37 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -87.79 50.0 1.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 37.61 51.89 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.812 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -147.28 159.19 43.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.594 ' CE2' ' CD2' ' A' ' 88' ' ' LEU . 37.0 m-85 -108.06 158.83 17.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.5 tttt -140.14 105.08 4.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.5 tt -94.9 106.44 18.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.5 -106.71 2.05 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.47 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -118.35 24.02 11.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.78 0.324 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 -134.22 162.33 32.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -131.6 150.06 52.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.634 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 97.2 m-85 -137.22 175.74 9.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -76.26 -32.83 59.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.462 ' ND1' ' HB3' ' A' ' 90' ' ' ALA . 2.2 p80 -175.98 -174.95 0.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.594 ' CD2' ' CE2' ' A' ' 78' ' ' PHE . 3.3 mm? -53.96 -60.78 6.51 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.612 0.72 . . . . 0.0 110.955 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.468 ' CD ' ' CB ' ' A' ' 88' ' ' LEU . 53.8 Cg_endo -69.76 13.31 0.29 Allowed 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.739 2.293 . . . . 0.0 112.376 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.474 ' H ' ' C ' ' A' ' 88' ' ' LEU . . . -111.9 -26.72 8.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.634 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.4 pp -91.52 -40.57 11.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 31.0 mt -58.67 -46.66 86.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -62.65 -29.68 70.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -77.7 -22.7 50.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.418 ' CD1' HD21 ' A' ' 100' ' ' LEU . 10.9 m-85 -93.85 -11.72 30.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.948 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -61.14 -13.85 20.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.477 HG12 ' N ' ' A' ' 98' ' ' HIS . 0.1 OUTLIER -120.02 -29.77 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.477 ' N ' HG12 ' A' ' 97' ' ' ILE . 50.3 m170 -91.35 143.78 26.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.554 ' CD2' HG21 ' A' ' 104' ' ' THR . 2.3 m-85 -94.08 113.61 25.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.954 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.418 HD21 ' CD1' ' A' ' 95' ' ' TYR . 10.0 mt -49.28 -67.82 0.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -119.79 -64.25 1.28 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 5.3 t -129.98 -5.58 4.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.176 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.3 t -147.87 -179.13 6.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.554 HG21 ' CD2' ' A' ' 99' ' ' TYR . 35.6 p -121.46 -177.8 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 91.3 mt -86.78 103.71 15.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 15.5 mm -77.66 -68.72 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -155.02 152.38 25.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.654 0.74 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 129.65 18.0 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.693 2.262 . . . . 0.0 112.322 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -39.9 151.16 0.24 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.582 0.706 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 150.3 67.91 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 0.0 112.342 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 38.2 mmm-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.955 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -118.73 102.01 8.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.844 0.354 . . . . 0.0 110.896 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.3 p -100.33 41.8 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.33 -149.24 13.02 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.5 m 61.51 41.49 12.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.867 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.5 m -103.61 114.64 29.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.23 -166.34 23.78 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.499 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.4 ptm -57.55 149.99 20.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.758 0.313 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.0 m -147.97 122.71 9.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.3 m -56.71 -175.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -49.93 96.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -129.31 98.96 5.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -175.05 176.38 2.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -110.82 100.7 9.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.495 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 55.2 m -57.62 -26.32 61.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.4 p -73.7 -42.37 61.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.534 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 9.9 t0 -65.07 101.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.564 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 5.5 mtt85 -67.72 -36.3 80.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 t -65.77 -3.82 5.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.456 ' HA ' ' CZ ' ' A' ' 111' ' ' ARG . . . -101.42 -31.34 10.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.564 ' CZ2' ' HG3' ' A' ' 18' ' ' ARG . 57.6 p-90 -124.52 -45.22 1.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.509 ' N ' ' O ' ' A' ' 18' ' ' ARG . 8.3 t80 -58.85 108.19 0.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.504 ' O ' ' N ' ' A' ' 25' ' ' PRO . 6.5 mmt -88.91 -2.77 58.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.834 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.503 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 29.52 -91.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.477 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.504 ' N ' ' O ' ' A' ' 23' ' ' MET . 54.3 Cg_endo -69.71 79.02 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.721 2.281 . . . . 0.0 112.359 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.469 ' CG2' ' HB3' ' A' ' 23' ' ' MET . 42.3 t -157.5 150.94 8.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.437 ' N ' HG13 ' A' ' 26' ' ' VAL . 19.7 m -119.19 169.97 9.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.531 ' HG3' ' CE1' ' A' ' 67' ' ' HIS . 20.6 ttt180 -56.54 -49.39 74.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -46.38 -47.93 18.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 31' ' ' ALA . 12.0 tt0 -73.34 -63.81 1.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' GLU . . . -37.72 -37.08 0.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.501 ' O ' ' N ' ' A' ' 36' ' ' GLN . 8.7 mt-30 -64.91 -51.88 59.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.477 HG22 ' N ' ' A' ' 34' ' ' ARG . 6.1 t -59.89 -23.43 63.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.186 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.477 ' N ' HG22 ' A' ' 33' ' ' THR . 6.7 mtt180 -82.2 -32.53 29.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 29.2 mt -108.22 5.86 26.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.501 ' N ' ' O ' ' A' ' 32' ' ' GLN . 0.7 OUTLIER -83.78 113.68 21.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.6 -29.92 5.15 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.481 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -48.85 162.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 110.949 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.459 ' NH1' ' HB3' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -59.63 160.15 7.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.902 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 41.7 m170 -75.97 120.35 21.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.16 -33.02 2.43 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.55 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 26.0 ttm -53.26 145.53 13.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.808 0.337 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -149.91 169.74 20.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.462 ' CD1' ' HG3' ' A' ' 23' ' ' MET . 1.3 pp -173.12 138.75 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.962 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 43.4 t -112.29 121.22 64.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.2 ptt85 -127.51 164.04 22.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -72.13 123.87 23.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.1 t -47.58 165.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.9 p -117.18 -6.93 11.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.846 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -135.01 -50.62 0.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.128 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 85.7 m -60.2 135.86 91.1 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.625 0.726 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 53' ' ' GLY . 54.4 Cg_endo -69.73 131.42 21.24 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.66 2.24 . . . . 0.0 112.39 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 52' ' ' PRO . . . 33.56 46.61 0.4 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.491 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -122.9 175.61 6.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.858 0.361 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -131.97 171.5 13.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.2 t -144.14 111.14 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.119 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 tp -85.28 104.06 14.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.97 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.0 m -93.11 130.11 38.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.2 m -136.01 159.57 39.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.3 t -93.58 99.31 11.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -140.94 143.14 34.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 54.42 46.14 25.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.9 m 49.17 34.26 5.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.36 168.91 24.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.9 t -98.5 108.42 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.0 m -82.0 105.71 13.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.531 ' CE1' ' HG3' ' A' ' 28' ' ' ARG . 79.3 m-70 -87.12 93.8 9.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -86.2 102.42 13.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 81.6 mt -62.88 142.17 17.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.153 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.472 ' CG2' ' HB3' ' A' ' 78' ' ' PHE . 5.2 mp -121.17 104.17 14.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -64.95 140.98 58.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 43.6 t -96.72 109.35 22.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.401 HD13 ' CB ' ' A' ' 77' ' ' ARG . 34.8 mt -80.74 148.58 65.63 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.624 0.726 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -22.26 32.39 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.66 2.24 . . . . 0.0 112.368 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -85.14 36.41 0.63 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.1 mtm180 50.06 47.93 22.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.401 ' CB ' HD13 ' A' ' 73' ' ' LEU . 76.0 mtt180 -141.92 156.36 45.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.472 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 81.2 m-85 -111.01 139.21 46.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.0 tttp -121.16 105.14 10.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.9 tt -91.97 103.98 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.64 -107.43 2.2 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.547 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -117.09 24.91 10.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.329 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -132.43 158.22 42.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -131.12 149.5 52.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.541 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 98.5 m-85 -138.64 172.94 12.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -69.54 -31.76 70.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.559 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 3.3 p80 -174.75 -175.01 0.86 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.491 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 8.7 mt -57.73 -59.73 12.13 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.711 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.7 Cg_endo -69.78 11.01 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.653 2.236 . . . . 0.0 112.335 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.559 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -109.56 -23.37 11.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.541 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.4 pp -89.08 -41.79 12.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 16.3 mt -58.81 -36.64 74.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.44 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 6.1 pt-20 -71.59 -24.45 61.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.402 ' CD2' ' HE1' ' A' ' 85' ' ' PHE . 22.1 t80 -87.52 -15.27 38.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.564 ' CD1' HD23 ' A' ' 100' ' ' LEU . 3.1 m-85 -91.36 -22.77 20.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.968 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.44 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 6.8 mtpm? -51.51 -20.23 1.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.905 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.415 HG13 ' N ' ' A' ' 98' ' ' HIS . 46.1 pt -111.3 -32.2 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.415 ' N ' HG13 ' A' ' 97' ' ' ILE . 54.3 m170 -88.76 136.95 32.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.557 ' CD2' HG22 ' A' ' 104' ' ' THR . 12.6 m-85 -89.46 113.75 25.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.958 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.564 HD23 ' CD1' ' A' ' 95' ' ' TYR . 5.6 mt -54.06 -68.34 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -119.34 -66.23 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.1 t -131.77 -3.62 3.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.147 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 5.2 t -149.97 169.43 21.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.557 HG22 ' CD2' ' A' ' 99' ' ' TYR . 66.4 p -109.93 -179.92 3.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.113 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 74.4 mt -88.96 109.7 20.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 31.2 mm -87.04 -71.6 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -147.94 150.44 35.72 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 0.0 110.957 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 147.62 63.8 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.684 2.256 . . . . 0.0 112.358 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.79 157.36 49.94 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.542 0.687 . . . . 0.0 111.119 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 148.78 65.82 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.656 2.237 . . . . 0.0 112.343 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.456 ' CZ ' ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.853 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 m -144.04 168.09 20.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.858 0.361 . . . . 0.0 110.86 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.6 m -152.23 148.21 27.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.69 51.48 4.27 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.8 p -162.89 122.43 2.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 110.884 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 m 47.38 42.41 14.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.63 70.96 0.82 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 35.9 mtt -145.4 107.12 4.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.808 0.337 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.3 m -127.73 144.76 51.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.848 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 11' ' ' ALA . 81.7 p -94.18 -174.99 3.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.848 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 10' ' ' SER . . . -35.69 99.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -129.37 101.63 6.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 31.6 p90 -166.96 168.19 14.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -99.53 106.22 18.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.484 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 45.6 p -64.06 -34.71 78.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 93.6 p -72.33 -36.34 68.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.58 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 25.1 t70 -68.79 97.22 0.8 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.57 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 13.0 mtm180 -66.69 -37.84 85.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.423 ' HA ' ' NH2' ' A' ' 111' ' ' ARG . 16.3 t -65.47 -3.9 5.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -101.38 -27.89 12.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.071 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.58 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 52.8 p-90 -128.95 -46.05 1.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.954 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.519 ' N ' ' O ' ' A' ' 18' ' ' ARG . 10.0 t80 -54.28 111.62 0.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.508 ' O ' ' N ' ' A' ' 25' ' ' PRO . 7.1 mmt -91.52 -10.01 42.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.815 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.504 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 29.37 -92.03 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.508 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.5 Cg_endo -69.8 79.21 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.646 2.231 . . . . 0.0 112.317 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.493 ' CG2' ' HB3' ' A' ' 23' ' ' MET . 16.7 t -152.57 141.02 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.159 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 38.7 m -101.62 151.26 22.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.542 ' CZ ' ' CG ' ' A' ' 67' ' ' HIS . 5.4 tpt180 -44.21 -59.25 2.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.881 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -42.71 -43.27 3.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 31' ' ' ALA . 10.7 tt0 -72.65 -65.62 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.85 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.467 ' CB ' ' HD3' ' A' ' 46' ' ' ARG . . . -34.47 -40.86 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.113 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.488 ' O ' ' N ' ' A' ' 36' ' ' GLN . 6.2 mt-30 -66.27 -55.29 16.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.44 HG21 ' N ' ' A' ' 34' ' ' ARG . 1.5 t -50.78 -21.73 1.79 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.44 ' N ' HG21 ' A' ' 33' ' ' THR . 15.3 mtp180 -84.01 -31.86 25.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.459 ' CD2' ' HG2' ' A' ' 42' ' ' MET . 5.8 mt -114.32 14.23 17.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 32' ' ' GLN . 0.7 OUTLIER -89.58 105.63 17.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.44 -16.21 60.48 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -60.61 169.78 1.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.798 0.332 . . . . 0.0 110.909 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.1 ptp85 -68.84 131.85 45.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -46.63 133.69 10.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.34 -42.8 1.46 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.526 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.459 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 25.4 ttm -45.58 140.21 3.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.77 0.319 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -144.67 171.14 14.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.472 ' CD1' ' HG2' ' A' ' 46' ' ' ARG . 2.9 pp -175.22 148.67 0.99 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 42.4 t -117.37 111.32 34.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.151 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.472 ' HG2' ' CD1' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -115.58 168.41 10.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -63.79 131.31 47.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.828 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.6 t -59.45 167.28 1.98 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 51' ' ' CYS . 7.3 t -88.3 133.46 34.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.869 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 49' ' ' SER . 8.2 t 33.62 33.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.12 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.506 ' N ' ' O ' ' A' ' 49' ' ' SER . 52.9 m -134.9 103.84 10.78 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.549 0.69 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 132.56 23.58 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.659 2.239 . . . . 0.0 112.332 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.26 -37.07 2.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -67.83 154.78 40.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.35 . . . . 0.0 110.828 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -130.24 168.45 16.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.424 HG11 ' NH1' ' A' ' 46' ' ' ARG . 67.2 t -139.95 109.97 3.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.089 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.2 tp -86.57 104.78 16.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.414 ' C ' HG12 ' A' ' 59' ' ' VAL . 67.6 m -90.84 132.15 36.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.414 HG12 ' C ' ' A' ' 58' ' ' SER . 1.6 m -139.93 155.13 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.102 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.1 t -89.92 115.52 27.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.487 ' OE2' ' ND2' ' A' ' 62' ' ' ASN . 3.0 tm-20 -158.35 139.09 12.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.487 ' ND2' ' OE2' ' A' ' 61' ' ' GLU . 1.5 m-80 61.8 50.14 4.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.5 m 45.12 30.86 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -149.03 178.86 8.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.556 HG13 ' CE1' ' A' ' 67' ' ' HIS . 25.4 t -108.45 102.95 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.5 m -77.07 104.24 7.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.556 ' CE1' HG13 ' A' ' 65' ' ' VAL . 62.1 m-70 -90.22 89.38 7.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.836 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -82.0 124.5 29.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 77.3 mt -85.07 140.38 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.135 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.2 mp -118.5 105.3 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -69.65 134.71 49.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.1 t -93.96 99.09 11.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.815 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 19.7 mt -68.78 141.94 93.15 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.635 0.731 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -3.04 11.21 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.646 2.231 . . . . 0.0 112.351 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -97.59 40.72 1.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.462 ' CZ ' ' HA ' ' A' ' 76' ' ' ARG . 3.0 mmp_? 49.07 41.0 18.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -148.49 158.18 43.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.494 ' CD1' ' HA ' ' A' ' 87' ' ' HIS . 1.8 m-85 -108.35 162.83 13.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 34.9 tttt -141.52 105.15 4.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.6 tt -98.42 103.22 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.17 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.49 -106.41 2.11 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.464 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -119.73 22.2 11.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.79 0.329 . . . . 0.0 110.84 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -128.69 166.84 18.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -140.95 145.33 35.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.607 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 99.0 m-85 -134.47 -178.99 5.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -75.83 -32.75 59.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 90' ' ' ALA . 3.2 p80 -172.46 -174.97 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.485 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 8.7 mt -57.62 -60.1 10.93 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.589 0.709 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.9 Cg_endo -69.7 11.86 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.69 2.26 . . . . 0.0 112.39 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.564 ' HB3' ' CE1' ' A' ' 87' ' ' HIS . . . -111.38 -21.85 11.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.607 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.3 pp -89.97 -41.09 11.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.0 mt -61.22 -38.45 86.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -67.44 -27.71 67.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.457 ' CE2' ' CE1' ' A' ' 98' ' ' HIS . 16.0 t80 -82.63 -21.38 35.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.555 ' CD1' HD21 ' A' ' 100' ' ' LEU . 8.7 m-85 -84.82 -22.3 29.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.952 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -49.93 -19.17 0.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 49.8 pt -115.73 -32.1 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.457 ' CE1' ' CE2' ' A' ' 94' ' ' PHE . 58.6 m170 -88.43 130.41 35.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.468 ' CD2' HG21 ' A' ' 104' ' ' THR . 9.7 m-85 -86.47 114.3 23.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.874 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.555 HD21 ' CD1' ' A' ' 95' ' ' TYR . 5.7 mt -53.0 -68.08 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -117.75 -68.25 0.93 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.466 ' CG2' ' HG2' ' A' ' 61' ' ' GLU . 10.3 t -126.48 -10.88 6.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 13.6 t -144.32 179.84 6.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.468 HG21 ' CD2' ' A' ' 99' ' ' TYR . 67.8 p -121.68 -174.87 2.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.183 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 52.2 mt -90.74 113.13 25.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 31.9 mm -93.87 -70.33 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.097 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -144.51 147.08 34.99 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.627 0.727 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 138.41 37.89 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.365 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.416 ' HB1' ' CD2' ' A' ' 35' ' ' LEU . . . -47.47 147.98 2.63 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.631 0.729 . . . . 0.0 111.036 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 147.67 63.31 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.693 2.262 . . . . 0.0 112.379 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.432 ' NH2' ' O ' ' A' ' 22' ' ' TYR . 14.0 mtt180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.0 p -102.89 129.68 49.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 0.0 110.908 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.5 m -143.22 114.4 7.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.1 148.54 5.59 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.493 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 t -136.13 145.81 46.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.876 0.369 . . . . 0.0 110.856 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 t -69.27 140.73 54.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.817 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.62 107.88 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.461 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.4 ptt? -70.33 149.15 47.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.726 0.298 . . . . 0.0 110.911 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.7 t -132.91 150.36 52.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.6 p -77.34 165.78 24.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 48.27 51.41 15.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.051 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -99.63 84.94 3.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.549 ' CE1' ' HE3' ' A' ' 96' ' ' LYS . 52.0 p90 -157.87 155.38 29.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -88.24 121.85 31.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.496 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 77.2 p -78.78 -17.46 55.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 95.6 p -84.63 -37.17 21.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 20' ' ' ALA . 12.0 t0 -60.71 88.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.567 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 14.5 mtm180 -58.55 -34.45 71.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.434 ' O ' ' CD ' ' A' ' 111' ' ' ARG . 47.8 t -71.95 2.82 5.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.49 ' N ' ' OD1' ' A' ' 17' ' ' ASP . . . -112.91 -27.41 8.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.117 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.567 ' CZ2' ' HG3' ' A' ' 18' ' ' ARG . 59.5 p-90 -128.34 -41.22 1.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.467 ' N ' ' CE3' ' A' ' 21' ' ' TRP . 5.5 t80 -67.03 124.72 23.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.668 ' O ' ' C ' ' A' ' 24' ' ' GLY . 3.1 mmt -123.27 18.89 9.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.874 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.668 ' C ' ' O ' ' A' ' 23' ' ' MET . . . -1.19 -73.65 0.0 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.517 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.529 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.3 Cg_endo -69.78 74.5 1.29 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.704 2.269 . . . . 0.0 112.338 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.49 ' CG1' ' N ' ' A' ' 27' ' ' SER . 2.5 t -137.71 155.72 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.49 ' N ' ' CG1' ' A' ' 26' ' ' VAL . 6.1 t -115.53 137.66 51.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 27' ' ' SER . 7.0 tpt180 -36.51 -53.52 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -55.41 -41.54 72.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' SER . 8.9 tt0 -65.25 -72.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 30' ' ' GLU . . . -37.73 -30.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 36' ' ' GLN . 6.1 mt-30 -73.22 -50.0 24.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.465 HG22 ' N ' ' A' ' 34' ' ' ARG . 1.6 t -58.19 -23.9 57.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.465 ' N ' HG22 ' A' ' 33' ' ' THR . 2.0 mtp-105 -81.62 -33.38 31.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.5 mt -107.37 8.16 29.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 32' ' ' GLN . 1.2 tp60 -86.57 113.13 22.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.95 -16.82 19.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.547 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.41 ' CG ' ' O ' ' A' ' 34' ' ' ARG . 11.8 mm100 -60.09 165.93 3.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.744 0.306 . . . . 0.0 110.925 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.82 158.67 6.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 21.6 m170 -76.66 124.25 27.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.844 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 129.61 -33.48 2.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.527 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 34.1 ttm -48.97 146.51 3.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.816 0.341 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -151.07 165.66 33.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.422 ' C ' HD13 ' A' ' 44' ' ' LEU . 3.4 pp -175.09 137.56 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.0 t -104.12 152.3 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.127 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.7 ptt85 -143.7 -178.08 5.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.457 ' O ' ' CG ' ' A' ' 47' ' ' ASP . 1.5 p-10 -95.02 111.96 23.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -50.73 123.18 8.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.81 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.7 m -66.74 148.95 51.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.846 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.6 p 45.28 26.79 0.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.17 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 82.0 m -146.45 105.03 4.03 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.591 0.71 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 128.78 16.54 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.709 2.273 . . . . 0.0 112.362 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.94 -45.55 3.33 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.487 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -51.76 147.77 6.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.407 ' CD2' HD13 ' A' ' 88' ' ' LEU . 22.1 m-85 -136.0 -175.63 4.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.5 p -159.94 112.92 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.13 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.0 tp -86.02 105.5 16.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.9 m -91.07 129.53 37.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -136.34 160.06 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.085 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.5 t -97.14 102.28 14.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.535 ' CG ' ' CG2' ' A' ' 102' ' ' THR . 9.2 tt0 -152.65 151.65 30.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.466 ' N ' ' HG2' ' A' ' 61' ' ' GLU . 65.8 m-20 61.34 31.59 19.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.2 t 60.74 33.22 20.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -159.63 178.45 9.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 49.6 t -103.55 106.27 19.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.146 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 48.8 m -76.56 104.73 7.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -86.71 74.48 9.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -68.76 93.71 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 69.0 mt -63.76 123.06 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.151 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.472 ' CG2' ' HB3' ' A' ' 78' ' ' PHE . 4.5 mp -94.74 107.05 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.136 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -66.4 153.04 43.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.7 t -106.08 102.74 12.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.431 ' CB ' ' OD1' ' A' ' 75' ' ' ASN . 32.6 mt -73.54 145.89 85.43 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.575 0.702 . . . . 0.0 110.95 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -16.43 37.36 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.65 2.233 . . . . 0.0 112.318 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.45 ' O ' ' NH1' ' A' ' 77' ' ' ARG . 18.6 p-10 -83.15 35.3 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 53.87 37.0 25.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.45 ' NH1' ' O ' ' A' ' 75' ' ' ASN . 0.8 OUTLIER -143.0 167.52 21.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.913 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.472 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 89.6 m-85 -109.87 162.18 14.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.3 tttp -141.18 105.31 4.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.7 tt -84.55 98.37 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 70.85 -97.66 0.65 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.44 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -120.81 22.28 11.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.749 0.309 . . . . 0.0 110.824 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -131.64 147.56 52.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -119.95 153.98 35.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.613 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 97.9 m-85 -146.24 158.43 43.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -56.99 -29.45 63.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.572 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 3.1 p80 -176.02 -175.0 0.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.818 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.494 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 9.8 mt -57.96 -59.41 13.28 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.59 0.71 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.7 Cg_endo -69.78 9.43 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.249 . . . . 0.0 112.356 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.572 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -107.16 -16.71 14.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.613 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.1 pp -97.93 -41.69 7.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 16.6 mt -58.31 -33.87 69.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -76.61 -24.32 53.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -83.67 -15.2 49.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.559 ' CE1' HD23 ' A' ' 100' ' ' LEU . 5.4 m-85 -92.72 -14.24 28.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.549 ' HE3' ' CE1' ' A' ' 13' ' ' PHE . 36.2 mttp -57.0 -19.77 20.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.883 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.446 HG13 ' N ' ' A' ' 98' ' ' HIS . 42.3 pt -114.33 -34.47 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.446 ' N ' HG13 ' A' ' 97' ' ' ILE . 52.1 m170 -89.21 134.42 34.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.828 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.557 ' CD2' HG22 ' A' ' 104' ' ' THR . 20.5 m-85 -87.81 114.36 24.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.559 HD23 ' CE1' ' A' ' 95' ' ' TYR . 8.1 mt -46.47 -67.09 0.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -126.03 -62.81 1.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.535 ' CG2' ' CG ' ' A' ' 61' ' ' GLU . 8.2 t -128.52 -7.2 5.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.153 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.1 t -150.02 177.26 10.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.137 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.557 HG22 ' CD2' ' A' ' 99' ' ' TYR . 76.1 p -120.41 -178.36 3.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.173 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 86.0 mt -84.91 117.37 23.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 39.7 mm -94.36 -69.51 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -148.51 143.57 17.5 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.596 0.712 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 132.77 24.03 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -46.87 162.43 0.27 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.603 0.716 . . . . 0.0 111.093 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.447 ' O ' ' NH1' ' A' ' 34' ' ' ARG . 53.9 Cg_endo -69.74 146.23 59.72 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.639 2.226 . . . . 0.0 112.366 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.434 ' CD ' ' O ' ' A' ' 19' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.1 t -167.42 151.75 6.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.826 0.346 . . . . 0.0 110.884 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 p -132.97 167.6 19.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -39.91 144.98 0.37 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.47 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.5 p -148.07 139.52 23.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.349 . . . . 0.0 110.882 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -103.88 153.07 21.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.72 88.58 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.473 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.6 mmt -78.49 -55.47 5.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.761 0.315 . . . . 0.0 110.857 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.8 p -105.38 157.2 17.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.2 m -61.53 -57.31 12.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.83 113.48 1.88 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.07 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.4 tpt85 -127.22 93.82 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -172.64 162.04 5.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -102.52 109.94 21.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.493 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 14.9 m -68.51 -23.7 64.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.3 t -73.57 -32.62 64.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.597 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 16.3 t70 -75.76 98.07 4.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.564 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 23.1 mtt180 -64.1 -39.91 95.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.8 t -64.85 -4.2 4.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.68 -26.55 13.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.077 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.597 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 51.7 p-90 -130.51 -47.03 1.07 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.517 ' N ' ' O ' ' A' ' 18' ' ' ARG . 10.0 t80 -58.01 96.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.954 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.557 ' O ' ' C ' ' A' ' 24' ' ' GLY . 6.6 mtt -99.75 37.1 1.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.557 ' C ' ' O ' ' A' ' 23' ' ' MET . . . -22.07 -67.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 72.07 1.46 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.728 2.285 . . . . 0.0 112.329 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.416 ' CG2' ' HB3' ' A' ' 23' ' ' MET . 15.7 t -148.18 124.72 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -81.19 149.19 29.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.404 ' HB2' ' NH2' ' A' ' 46' ' ' ARG . 11.8 ttm180 -48.43 -58.77 4.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -45.97 -30.23 1.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 32' ' ' GLN . 11.3 tt0 -80.42 -69.29 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 30' ' ' GLU . . . -36.24 -29.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 30' ' ' GLU . 5.3 mt-30 -71.5 -50.65 29.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.471 HG21 ' N ' ' A' ' 34' ' ' ARG . 10.9 t -59.44 -26.06 64.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.471 ' N ' HG21 ' A' ' 33' ' ' THR . 9.0 mtp180 -76.63 -33.62 58.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 mt -112.19 14.48 20.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 32' ' ' GLN . 0.9 OUTLIER -88.5 106.19 18.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.38 -6.65 83.02 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.497 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -69.44 164.44 23.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.751 0.31 . . . . 0.0 110.94 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -58.16 147.66 29.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 56.3 m170 -63.48 117.8 7.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 42' ' ' MET . . . 140.41 -47.18 0.89 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.465 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.405 ' C ' ' O ' ' A' ' 41' ' ' GLY . 17.9 ttm -37.24 143.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.341 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -151.5 162.95 40.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.403 ' C ' ' CD1' ' A' ' 44' ' ' LEU . 1.1 pp -164.36 142.17 6.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 23' ' ' MET . 57.7 t -112.03 114.85 48.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.167 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.404 ' NH2' ' HB2' ' A' ' 28' ' ' ARG . 5.7 ptt85 -120.36 166.64 13.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -65.67 139.06 58.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.812 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.29 -175.52 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.849 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 51' ' ' CYS . 10.7 m -52.33 -173.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.813 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -41.23 -22.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.166 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 49' ' ' SER . 76.8 m -74.52 111.43 12.92 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.61 0.719 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 145.81 58.04 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.655 2.237 . . . . 0.0 112.33 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 105.81 -56.42 0.52 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.515 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -60.84 158.86 12.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.789 0.328 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -136.13 166.1 24.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 69.7 t -138.72 111.96 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 tp -89.62 100.78 13.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 44.1 m -90.94 126.06 35.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.5 m -133.8 157.9 42.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.117 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.0 t -91.05 101.67 14.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -143.75 144.54 31.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 57.84 53.08 7.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.1 m 45.32 30.94 0.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.8 ptt-85 -156.0 176.61 12.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 39.9 t -99.04 97.03 5.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.5 m -70.11 97.99 1.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.857 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -80.39 104.11 10.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -100.57 97.55 8.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.962 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 93.1 mt -64.78 136.01 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.2 mp -102.74 113.55 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.17 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -75.02 131.64 40.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.2 t -91.08 106.19 18.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.3 mt -82.98 151.38 63.61 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.629 0.728 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -23.97 30.37 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.665 2.243 . . . . 0.0 112.362 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 76' ' ' ARG . 55.7 t30 -78.67 49.32 0.88 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.845 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.438 ' HB3' ' NH1' ' A' ' 76' ' ' ARG . 6.0 mmm180 35.87 42.8 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.2 mtp-105 -144.32 161.95 37.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -110.18 160.79 16.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -141.63 106.12 4.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 15.1 tt -96.62 102.44 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.31 -108.08 2.58 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.537 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -118.11 21.35 12.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.71 0.29 . . . . 0.0 110.811 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -129.4 163.27 26.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -137.85 150.48 47.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.562 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 97.2 m-85 -137.96 -178.47 5.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.858 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -76.89 -29.83 55.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.577 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 2.7 p80 -175.88 -174.99 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.484 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 9.0 mt -56.5 -60.02 10.43 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.57 0.7 . . . . 0.0 110.921 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.2 Cg_endo -69.79 9.1 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.645 2.23 . . . . 0.0 112.346 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.577 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -109.01 -19.47 13.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.562 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.1 pp -94.73 -40.37 9.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.9 mt -64.17 -39.62 94.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.46 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 5.5 pt-20 -65.33 -25.21 67.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.619 ' CE2' ' CE1' ' A' ' 98' ' ' HIS . 31.7 t80 -84.6 -24.49 29.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.541 ' CD1' HD23 ' A' ' 100' ' ' LEU . 17.7 m-85 -84.14 -19.97 33.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.46 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 7.9 mtpm? -53.02 -19.18 2.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.917 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.415 HG13 ' N ' ' A' ' 98' ' ' HIS . 35.7 pt -116.24 -34.96 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.156 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.619 ' CE1' ' CE2' ' A' ' 94' ' ' PHE . 59.0 m170 -85.28 146.27 27.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.824 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.544 ' CD2' HG23 ' A' ' 104' ' ' THR . 3.3 m-85 -96.45 113.94 25.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.541 HD23 ' CD1' ' A' ' 95' ' ' TYR . 8.9 mt -48.77 -66.63 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.939 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -123.6 -63.36 1.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.8 t -127.55 -8.93 5.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 4.4 t -144.46 -175.95 4.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.544 HG23 ' CD2' ' A' ' 99' ' ' TYR . 44.5 p -124.39 -177.21 3.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 70.0 mt -91.81 105.01 17.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 25.5 mm -79.04 -70.75 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -151.32 152.56 31.18 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.586 0.708 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 140.12 41.81 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.637 2.225 . . . . 0.0 112.382 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.408 ' O ' ' CE ' ' A' ' 23' ' ' MET . . . -57.98 151.51 44.3 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.562 0.696 . . . . 0.0 111.087 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 149.55 66.75 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.697 2.264 . . . . 0.0 112.322 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.4 p -126.32 148.7 49.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.36 . . . . 0.0 110.859 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.0 p -157.05 175.37 14.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.81 163.79 32.94 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.454 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.8 t 52.5 42.01 31.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.87 0.367 . . . . 0.0 110.889 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.4 m -63.22 -58.81 5.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.69 91.47 0.78 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.517 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.3 mtp -80.25 -53.88 6.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.793 0.33 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.4 m -58.73 145.68 39.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.815 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 t -70.1 -56.57 6.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.812 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.67 89.09 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.097 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -125.25 90.26 3.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.495 ' CE1' ' NZ ' ' A' ' 96' ' ' LYS . 37.7 p90 -148.86 155.8 41.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -83.05 91.36 7.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.49 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 67.7 m -58.68 -24.09 60.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.6 m -77.88 -33.51 52.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.603 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 7.8 t70 -71.51 102.74 2.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.821 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.576 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 6.8 mtm-85 -66.5 -34.18 77.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.2 t -70.52 2.32 4.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.82 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -109.66 -26.2 10.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.082 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.603 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 56.8 p-90 -130.38 -43.55 1.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.448 ' N ' ' CE3' ' A' ' 21' ' ' TRP . 9.8 t80 -64.51 105.66 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.521 ' O ' ' N ' ' A' ' 25' ' ' PRO . 4.5 mmt -88.48 -1.48 58.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.503 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 28.67 -91.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.521 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.5 Cg_endo -69.77 79.49 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.706 2.271 . . . . 0.0 112.341 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.482 ' CG2' ' HB3' ' A' ' 23' ' ' MET . 24.9 t -154.09 130.02 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.9 m -89.79 162.03 15.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.47 ' CA ' ' NH2' ' A' ' 46' ' ' ARG . 19.1 ttp-105 -54.48 -54.28 43.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -46.3 -31.08 2.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.511 ' O ' ' N ' ' A' ' 32' ' ' GLN . 10.4 tt0 -83.0 -70.6 0.54 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 30' ' ' GLU . . . -35.83 -29.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.041 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.511 ' N ' ' O ' ' A' ' 30' ' ' GLU . 5.5 mt-30 -72.52 -53.48 11.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.413 HG23 ' O ' ' A' ' 30' ' ' GLU . 3.9 t -58.27 -23.05 54.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.448 ' NH1' ' O ' ' A' ' 110' ' ' PRO . 1.6 mtp-105 -78.67 -35.71 44.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.432 ' CD2' ' HG2' ' A' ' 42' ' ' MET . 12.3 mt -107.52 4.22 25.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 32' ' ' GLN . 0.7 OUTLIER -82.01 117.65 22.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.25 -21.36 7.17 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.446 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -57.96 169.23 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 110.934 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.23 154.69 34.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -69.59 124.0 22.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 132.6 -39.23 1.77 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.519 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.432 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 23.1 ttm -45.65 143.99 1.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.446 ' CZ ' ' HB3' ' A' ' 108' ' ' PRO . 2.6 p90 -150.36 171.01 17.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.4 ' N ' ' CD1' ' A' ' 43' ' ' PHE . 4.3 pp -174.84 149.25 1.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 30.6 t -120.55 122.67 68.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.47 ' NH2' ' CA ' ' A' ' 28' ' ' ARG . 4.3 ptt85 -125.24 179.82 4.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -82.02 109.87 16.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.6 p -47.37 154.94 0.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.6 t -120.84 -34.67 3.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 76.4 p -77.41 -41.45 39.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.146 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 97.8 m -96.18 142.73 24.98 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.57 0.7 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 53' ' ' GLY . 53.7 Cg_endo -69.75 134.82 28.94 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.652 2.234 . . . . 0.0 112.36 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 52' ' ' PRO . . . 34.74 52.81 0.82 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -131.08 172.07 12.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -117.74 165.55 13.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.945 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 77.1 t -140.72 108.49 2.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.125 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.555 ' C ' ' CD2' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -79.97 106.52 12.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.7 m -97.11 133.52 41.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.472 ' CG1' HD21 ' A' ' 57' ' ' LEU . 1.2 m -143.89 154.2 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.142 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.2 t -88.41 101.39 13.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.407 ' HG2' ' N ' ' A' ' 62' ' ' ASN . 12.5 tt0 -149.77 147.44 28.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.407 ' N ' ' HG2' ' A' ' 61' ' ' GLU . 44.1 m-20 56.74 54.88 6.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.4 t 41.69 30.39 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.2 ptt-85 -155.08 176.52 12.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.1 t -104.42 100.67 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.502 ' OG ' ' CZ ' ' A' ' 68' ' ' TYR . 0.6 OUTLIER -64.42 112.11 2.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.844 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -97.76 82.91 3.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.502 ' CZ ' ' OG ' ' A' ' 66' ' ' SER . 50.9 m-85 -78.79 114.03 17.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.929 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 80.2 mt -73.2 129.08 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.444 ' CD1' ' HB2' ' A' ' 57' ' ' LEU . 3.7 mp -106.17 106.53 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -70.83 140.72 51.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.4 t -100.99 100.65 11.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.816 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 19.4 mt -73.77 145.49 84.34 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.621 0.724 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -4.69 14.53 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.701 2.267 . . . . 0.0 112.354 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -92.25 30.85 1.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 57.01 32.49 21.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -143.26 159.39 42.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -105.25 162.46 13.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 71.4 tttt -135.97 104.98 5.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.8 tt -96.61 97.11 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.15 -108.4 2.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.453 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -118.71 28.12 8.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.793 0.33 . . . . 0.0 110.898 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -137.4 164.98 27.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -134.98 153.55 52.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.574 ' CD1' ' HA ' ' A' ' 91' ' ' LEU . 97.9 m-85 -139.95 169.83 16.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -67.19 -31.3 71.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.611 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 2.2 p80 -177.45 -175.02 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.515 ' C ' ' H ' ' A' ' 90' ' ' ALA . 8.8 mt -56.63 -58.92 14.11 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.628 0.728 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.7 Cg_endo -69.75 21.55 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.677 2.252 . . . . 0.0 112.343 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.611 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -117.92 -39.37 3.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.075 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.574 ' HA ' ' CD1' ' A' ' 85' ' ' PHE . 3.8 pp -73.37 -42.17 62.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.443 ' N ' HD11 ' A' ' 91' ' ' LEU . 13.1 mt -60.0 -38.7 83.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.467 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 2.8 mt-10 -64.8 -28.29 69.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.469 ' CE2' ' CE1' ' A' ' 98' ' ' HIS . 22.0 t80 -86.44 -15.93 38.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.545 ' CD1' HD22 ' A' ' 100' ' ' LEU . 5.9 m-85 -91.41 -24.79 19.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.993 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.495 ' NZ ' ' CE1' ' A' ' 13' ' ' PHE . 12.6 mtpp -49.22 -19.87 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.909 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 50.1 pt -114.87 -31.54 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.136 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.469 ' CE1' ' CE2' ' A' ' 94' ' ' PHE . 52.8 m170 -87.98 144.03 26.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.547 ' CD2' HG22 ' A' ' 104' ' ' THR . 5.2 m-85 -94.35 113.6 25.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.545 HD22 ' CD1' ' A' ' 95' ' ' TYR . 8.0 mt -51.93 -70.2 0.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -115.43 -66.3 1.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.2 t -127.69 -11.45 5.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.175 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 t -140.67 -178.58 5.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.547 HG22 ' CD2' ' A' ' 99' ' ' TYR . 52.0 p -123.45 175.98 6.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 83.3 mt -83.59 110.97 18.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 32.0 mm -87.3 -71.36 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -147.33 141.68 16.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.609 0.719 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.446 ' HB3' ' CZ ' ' A' ' 43' ' ' PHE . 53.6 Cg_endo -69.76 130.21 18.95 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.702 2.268 . . . . 0.0 112.304 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -48.82 149.49 3.12 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.623 0.725 . . . . 0.0 111.075 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.448 ' O ' ' NH1' ' A' ' 34' ' ' ARG . 53.6 Cg_endo -69.74 146.06 59.15 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.74 2.293 . . . . 0.0 112.334 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.837 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 p -164.92 120.27 1.38 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.889 0.376 . . . . 0.0 110.822 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 p -124.69 173.61 8.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.91 -144.81 15.9 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.517 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t 66.07 42.31 3.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.848 0.356 . . . . 0.0 110.848 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.2 t -166.06 161.89 17.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.6 111.31 2.47 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.519 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.431 ' C ' ' SD ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -64.14 148.85 48.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.764 0.316 . . . . 0.0 110.879 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 87.7 p -142.95 117.11 9.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 11' ' ' ALA . 85.8 p -69.36 -175.02 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 10' ' ' SER . . . -34.93 99.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.112 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.2 tpt85 -140.73 106.13 5.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -169.23 174.24 6.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -101.6 86.76 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.826 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.487 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 66.5 m -50.66 -18.05 0.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.5 t -81.19 -42.1 21.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.608 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 11.1 t0 -58.97 89.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.573 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 15.8 mtm180 -57.09 -37.69 72.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.4 t -69.56 0.33 5.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.495 ' N ' ' OD1' ' A' ' 17' ' ' ASP . . . -108.72 -25.86 10.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.078 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.608 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 42.3 p-90 -129.69 -44.54 1.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.482 ' HB2' ' CZ3' ' A' ' 21' ' ' TRP . 15.9 t80 -69.1 97.67 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.888 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.599 ' O ' ' C ' ' A' ' 24' ' ' GLY . 5.1 mtt -98.18 35.06 1.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.599 ' C ' ' O ' ' A' ' 23' ' ' MET . . . -19.56 -69.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 72.42 1.44 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.681 2.254 . . . . 0.0 112.365 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.422 ' CG2' ' HB3' ' A' ' 23' ' ' MET . 9.5 t -147.36 142.18 19.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.113 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.0 m -93.29 153.82 18.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -52.75 -54.91 27.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -50.68 -42.18 56.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 31' ' ' ALA . 9.8 tt0 -64.47 -64.63 0.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 30' ' ' GLU . . . -36.18 -36.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.107 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 36' ' ' GLN . 3.8 mt-30 -65.6 -54.05 33.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.46 HG23 ' N ' ' A' ' 34' ' ' ARG . 4.1 t -57.13 -23.63 48.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.46 ' N ' HG23 ' A' ' 33' ' ' THR . 1.5 mtp-105 -81.09 -34.11 32.88 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.443 ' CD2' ' HG2' ' A' ' 42' ' ' MET . 14.0 mt -113.6 17.4 18.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 32' ' ' GLN . 1.1 tp60 -95.47 111.15 23.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.89 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.28 -22.08 34.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.53 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -60.11 164.1 4.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.784 0.326 . . . . 0.0 110.936 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.91 154.8 11.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 50.8 m170 -70.42 117.54 12.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 139.77 -40.91 1.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.443 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 30.0 ttm -44.86 142.01 1.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -144.84 172.29 13.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.422 ' C ' HD13 ' A' ' 44' ' ' LEU . 3.5 pp -173.38 137.46 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.4 t -106.38 103.6 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -106.2 177.98 4.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -80.01 131.55 35.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.5 t -76.36 95.26 3.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.4 t -56.47 -51.97 66.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.87 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -47.74 -63.75 0.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 88.6 m -101.5 124.18 41.81 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.599 0.714 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 130.42 19.39 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.683 2.255 . . . . 0.0 112.329 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.23 -46.69 2.0 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.48 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -63.57 163.35 11.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.765 0.316 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.43 ' CE2' ' CE2' ' A' ' 78' ' ' PHE . 20.5 m-85 -118.03 169.12 9.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.4 t -138.19 108.87 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.7 tp -88.48 102.11 14.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.423 ' C ' HG11 ' A' ' 59' ' ' VAL . 16.4 m -90.74 129.74 36.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.423 HG11 ' C ' ' A' ' 58' ' ' SER . 1.0 OUTLIER -135.31 151.82 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.196 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.8 t -84.54 118.63 24.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.479 ' OE2' ' ND2' ' A' ' 62' ' ' ASN . 2.1 tm-20 -160.68 137.99 9.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.479 ' ND2' ' OE2' ' A' ' 61' ' ' GLU . 2.2 m-80 57.22 52.47 8.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.0 m 46.03 30.63 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.427 ' CG ' ' O ' ' A' ' 61' ' ' GLU . 0.1 OUTLIER -146.03 -178.71 6.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 78.6 t -115.16 96.89 4.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.33 118.13 9.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -97.91 97.76 9.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -90.42 101.89 14.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.944 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 83.0 mt -68.6 137.14 25.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.449 ' CG2' ' HB3' ' A' ' 78' ' ' PHE . 5.3 mp -116.99 107.2 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -71.98 129.53 38.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.6 t -82.82 111.97 19.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.831 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 37.6 mt -78.37 151.05 77.62 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.569 0.7 . . . . 0.0 110.94 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -23.82 30.36 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.656 2.237 . . . . 0.0 112.396 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -86.29 49.52 1.81 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.7 mmm-85 39.5 49.15 1.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -145.52 158.15 43.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.449 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 88.5 m-85 -108.99 154.11 22.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.2 tttt -133.5 102.17 5.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.7 tt -95.04 110.13 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 70.61 -108.41 2.47 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.508 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -118.94 23.35 11.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.731 0.301 . . . . 0.0 110.828 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -131.95 163.98 27.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -136.46 143.23 43.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.594 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 97.5 m-85 -128.69 -179.37 5.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.857 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -81.23 -27.32 35.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 90' ' ' ALA . 3.1 p80 -175.84 -174.99 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.519 ' HB3' ' CH2' ' A' ' 21' ' ' TRP . 3.8 mm? -57.16 -60.19 10.41 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.627 0.727 . . . . 0.0 110.948 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 54.0 Cg_endo -69.72 8.49 0.75 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.688 2.259 . . . . 0.0 112.328 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.564 ' HB3' ' CE1' ' A' ' 87' ' ' HIS . . . -105.93 -16.63 14.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.111 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.594 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 2.7 pp -100.99 -40.04 7.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.0 mt -63.65 -37.2 86.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.947 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -73.18 -26.17 61.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -82.59 -25.74 32.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.4 ' CD1' HD22 ' A' ' 100' ' ' LEU . 6.8 m-85 -81.31 -17.03 50.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.6 mttm -49.22 -21.9 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 48.6 pt -111.97 -32.26 2.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 62.6 m170 -86.63 146.39 26.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.504 ' CG ' HG22 ' A' ' 104' ' ' THR . 2.2 m-85 -101.64 114.65 28.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.4 HD22 ' CD1' ' A' ' 95' ' ' TYR . 5.7 mt -51.84 -66.84 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.957 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -117.94 -67.74 0.97 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.466 HG22 ' CG ' ' A' ' 61' ' ' GLU . 12.9 t -130.68 -3.88 4.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 9.7 t -146.09 175.91 10.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.188 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.504 HG22 ' CG ' ' A' ' 99' ' ' TYR . 81.7 p -116.03 177.29 4.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.125 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.0 mt -86.27 114.5 23.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 24.4 mm -93.16 -70.28 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -149.46 144.09 17.52 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.588 0.709 . . . . 0.0 110.905 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 138.21 37.24 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -50.49 150.9 4.34 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.575 0.703 . . . . 0.0 111.134 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 148.82 65.77 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.66 2.24 . . . . 0.0 112.374 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.921 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.776 0.322 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -134.27 79.3 1.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.418 ' CG ' ' HD3' ' A' ' 108' ' ' PRO . 32.9 p90 -152.91 151.85 30.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -84.47 119.68 25.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.825 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.421 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 18.6 p -76.64 -34.1 58.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 m -82.58 17.64 1.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.553 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 11.4 t70 -119.28 91.45 3.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.592 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 5.8 mtm-85 -59.54 -34.81 73.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 t -71.48 3.22 4.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.858 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.431 ' HB2' ' OD1' ' A' ' 17' ' ' ASP . . . -112.78 -27.02 8.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.113 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.592 ' CZ2' ' HG3' ' A' ' 18' ' ' ARG . 48.2 p-90 -129.34 -41.47 1.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.438 ' N ' ' O ' ' A' ' 18' ' ' ARG . 7.4 t80 -66.05 116.41 7.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.726 ' HB3' HG21 ' A' ' 26' ' ' VAL . 4.6 mmt -96.04 0.67 51.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.514 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 28.96 -91.7 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.439 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.509 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.5 Cg_endo -69.77 78.72 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.7 2.267 . . . . 0.0 112.293 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.726 HG21 ' HB3' ' A' ' 23' ' ' MET . 33.0 t -155.42 135.59 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.8 m -103.69 161.4 13.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.5 ttt85 -49.11 -54.01 18.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -44.2 -43.88 7.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.614 ' O ' HG22 ' A' ' 33' ' ' THR . 17.2 tt0 -74.8 -67.28 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 30' ' ' GLU . . . -35.39 -40.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.085 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.496 ' O ' ' N ' ' A' ' 36' ' ' GLN . 4.4 mt-30 -61.84 -53.56 54.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.614 HG22 ' O ' ' A' ' 30' ' ' GLU . 1.3 t -59.15 -22.96 61.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.067 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -81.39 -30.82 33.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.446 ' CD2' ' HG2' ' A' ' 42' ' ' MET . 15.3 mt -112.05 7.82 19.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 32' ' ' GLN . 2.8 tp-100 -84.55 107.17 16.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.98 -15.33 53.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.536 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -59.41 161.31 5.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 110.918 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 4.5 ptp180 -51.39 141.34 15.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 47.2 m170 -61.94 124.71 21.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.41 -30.62 4.22 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.441 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.446 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 31.8 ttm -51.11 144.19 9.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.462 ' CB ' HG22 ' A' ' 59' ' ' VAL . 2.2 p90 -151.05 169.85 20.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.517 HD13 ' HG3' ' A' ' 23' ' ' MET . 4.3 pp -171.14 152.11 3.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.7 t -122.53 119.83 59.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.528 ' HD2' HG12 ' A' ' 26' ' ' VAL . 16.5 ptt-85 -123.79 170.47 10.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -72.66 117.55 14.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.7 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.797 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.844 0.354 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -127.66 170.33 12.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 23.5 t -137.42 113.19 11.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.46 ' CB ' HD11 ' A' ' 70' ' ' ILE . 26.1 tp -90.27 90.54 8.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.3 m -74.72 119.17 18.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.478 ' O ' ' N ' ' A' ' 66' ' ' SER . 2.2 t -118.84 154.63 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.09 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.464 ' N ' ' CG1' ' A' ' 59' ' ' VAL . 11.9 t -102.72 119.69 39.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.448 ' CG ' ' CG2' ' A' ' 102' ' ' THR . 6.8 tp10 -171.98 149.79 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.876 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 60.28 39.31 19.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.0 m 54.79 26.44 7.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -146.22 -177.26 5.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.415 HG21 ' HA ' ' A' ' 32' ' ' GLN . 45.8 t -109.77 100.84 11.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 59' ' ' VAL . 3.9 m -74.09 97.68 2.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -80.15 108.51 13.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.661 ' CE2' HD13 ' A' ' 100' ' ' LEU . 47.6 m-85 -99.56 94.87 6.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 88.4 mt -60.22 143.0 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.503 HD12 ' O ' ' A' ' 68' ' ' TYR . 5.0 mp -118.64 97.56 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -60.11 146.32 43.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.7 t -98.11 102.88 14.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 71.5 mt -74.77 147.71 84.44 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.645 0.736 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -20.59 34.9 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.691 2.261 . . . . 0.0 112.339 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -87.45 38.56 0.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? 48.54 42.55 19.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 69.2 mtt180 -134.6 166.77 22.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.452 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 58.2 m-85 -118.71 136.21 54.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -118.55 101.47 8.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.661 HD11 ' HB3' ' A' ' 68' ' ' TYR . 5.5 tt -91.46 98.86 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.109 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.78 -108.54 2.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.516 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -117.84 24.8 10.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.734 0.302 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -131.97 161.55 32.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -134.97 149.94 50.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.569 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 98.9 m-85 -140.22 -178.7 5.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -76.11 -30.28 58.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 1.011 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 2.9 p80 -175.97 -175.03 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.497 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 8.5 mt -56.45 -60.13 10.06 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.614 0.721 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.9 Cg_endo -69.75 9.78 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 1.011 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -109.94 -16.13 13.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.569 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.0 pp -97.05 -41.03 8.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.409 ' N ' HD12 ' A' ' 91' ' ' LEU . 8.4 mt -61.73 -34.74 76.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.45 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 11.7 pt-20 -71.9 -24.84 61.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.469 ' CE2' ' CD2' ' A' ' 98' ' ' HIS . 29.6 t80 -84.81 -17.47 38.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.617 ' CE1' HD23 ' A' ' 100' ' ' LEU . 10.1 m-85 -92.7 -18.57 22.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.45 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 23.4 mtpt -52.29 -18.72 1.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.418 HG13 ' N ' ' A' ' 98' ' ' HIS . 48.8 pt -117.2 -33.9 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.469 ' CD2' ' CE2' ' A' ' 94' ' ' PHE . 4.2 m-70 -83.84 143.81 29.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.766 ' HA ' HG22 ' A' ' 104' ' ' THR . 6.7 m-85 -95.36 114.59 26.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.661 HD13 ' CE2' ' A' ' 68' ' ' TYR . 6.8 mt -51.02 -68.66 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.938 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -120.96 -64.86 1.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.448 ' CG2' ' CG ' ' A' ' 61' ' ' GLU . 14.2 t -126.21 -8.07 6.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.9 t -146.56 -176.23 5.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.16 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.766 HG22 ' HA ' ' A' ' 99' ' ' TYR . 31.0 p -125.74 174.07 8.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.184 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.571 HD12 ' HB2' ' A' ' 95' ' ' TYR . 41.1 mt -81.1 111.81 17.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.8 mm -87.67 -68.35 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -151.64 151.99 29.59 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.669 0.747 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.418 ' HD3' ' CG ' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.85 143.46 50.5 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.682 2.255 . . . . 0.0 112.348 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.512 ' HB1' ' HD2' ' A' ' 110' ' ' PRO . . . -51.33 158.5 1.35 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.566 0.698 . . . . 0.0 111.09 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.512 ' HD2' ' HB1' ' A' ' 109' ' ' ALA . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.177 0 C-N-CA 122.724 2.283 . . . . 0.0 112.333 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.784 0.326 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? -110.43 93.36 4.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -147.83 167.05 25.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -96.02 91.37 5.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.477 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 92.9 p -55.35 -16.46 3.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.807 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.6 t -83.07 -40.95 19.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.555 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 11.9 t0 -59.85 88.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.843 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.582 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 22.7 mtt180 -57.9 -37.24 73.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.5 t -69.61 -0.92 7.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.461 ' N ' ' OD1' ' A' ' 17' ' ' ASP . . . -107.83 -28.05 9.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.582 ' CZ2' ' HG3' ' A' ' 18' ' ' ARG . 60.8 p-90 -127.14 -43.06 1.67 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.479 ' N ' ' O ' ' A' ' 18' ' ' ARG . 20.8 t80 -68.93 113.15 6.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.73 ' HB3' HG21 ' A' ' 26' ' ' VAL . 6.4 mmt -94.46 -3.53 49.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.53 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 26.09 -89.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.545 ' N ' ' O ' ' A' ' 23' ' ' MET . 54.1 Cg_endo -69.75 78.86 0.98 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.629 2.219 . . . . 0.0 112.323 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.73 HG21 ' HB3' ' A' ' 23' ' ' MET . 10.5 t -151.65 135.19 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.2 t -82.83 158.76 22.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.401 ' HA ' ' CZ ' ' A' ' 46' ' ' ARG . 33.8 ttt180 -60.75 -48.85 79.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -53.5 -33.12 53.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.73 ' O ' HG22 ' A' ' 33' ' ' THR . 15.7 tt0 -73.85 -68.84 0.48 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.415 ' HB2' ' HD3' ' A' ' 46' ' ' ARG . . . -36.6 -29.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.557 ' HA ' HG21 ' A' ' 65' ' ' VAL . 5.0 mt-30 -72.49 -51.21 21.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.73 HG22 ' O ' ' A' ' 30' ' ' GLU . 9.7 t -58.96 -26.17 64.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.153 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 110' ' ' PRO . 1.7 mtp-105 -79.39 -32.7 43.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.45 HD13 ' C ' ' A' ' 58' ' ' SER . 8.3 mt -110.02 10.92 24.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.497 ' N ' ' O ' ' A' ' 32' ' ' GLN . 2.8 tp-100 -90.52 111.69 23.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.75 -18.34 26.25 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -58.13 172.27 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.76 0.314 . . . . 0.0 110.953 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -66.59 140.98 57.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 56.6 m170 -60.01 124.7 21.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 132.13 -35.27 2.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.485 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 30.0 ttm -53.11 147.11 10.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.859 0.362 . . . . 0.0 110.836 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 108' ' ' PRO . 5.2 p90 -154.83 170.93 20.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.566 HD12 ' C ' ' A' ' 44' ' ' LEU . 4.1 pp -169.14 155.13 6.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.467 ' O ' ' CD1' ' A' ' 22' ' ' TYR . 20.1 t -126.14 108.44 19.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.415 ' HD3' ' HB2' ' A' ' 31' ' ' ALA . 19.0 ptt-85 -114.36 173.91 6.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -76.54 123.84 26.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 4.8 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' A' ' 48' ' ' SER . 5.1 m-20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.844 0.354 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -125.23 166.76 15.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.3 t -134.66 119.43 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.624 ' HB2' HD11 ' A' ' 70' ' ' ILE . 26.6 tp -93.05 89.13 6.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.45 ' C ' HD13 ' A' ' 35' ' ' LEU . 45.4 m -77.49 117.64 19.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.538 HG13 ' HB2' ' A' ' 66' ' ' SER . 0.1 OUTLIER -130.12 141.25 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.106 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.5 t -79.6 118.27 21.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.503 ' CG ' HG22 ' A' ' 102' ' ' THR . 4.0 tp10 -169.98 143.66 2.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 62.05 50.86 3.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.943 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.2 t 44.35 33.38 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 42.2 ptt85 -162.95 173.24 13.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.557 HG21 ' HA ' ' A' ' 32' ' ' GLN . 59.9 t -98.47 106.26 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.538 ' HB2' HG13 ' A' ' 59' ' ' VAL . 61.4 m -73.46 89.51 1.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -68.46 85.07 0.28 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.61 ' HB3' HD11 ' A' ' 80' ' ' ILE . 21.3 m-85 -80.11 92.89 5.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 91.7 mt -61.38 144.71 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.624 HD11 ' HB2' ' A' ' 57' ' ' LEU . 5.2 mp -117.43 109.61 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -72.69 133.69 44.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.3 t -91.72 111.32 22.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.428 HD11 ' HB2' ' A' ' 79' ' ' LYS . 22.9 mt -83.55 149.77 58.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.608 0.718 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -7.89 22.21 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.707 2.271 . . . . 0.0 112.36 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.99 24.52 4.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 40.8 mtt85 61.92 26.86 16.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.28 157.99 35.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.836 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.572 ' CE2' ' HG ' ' A' ' 88' ' ' LEU . 47.8 m-85 -106.01 147.52 28.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.428 ' HB2' HD11 ' A' ' 73' ' ' LEU . 77.0 tttt -128.43 101.87 6.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.61 HD11 ' HB3' ' A' ' 68' ' ' TYR . 4.7 tt -91.7 102.6 13.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.99 -106.7 2.08 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -116.46 18.25 15.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.791 0.329 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.8 mp0 -123.84 156.6 35.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -131.73 142.97 49.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.57 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 99.3 m-85 -132.32 177.99 7.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -75.74 -30.94 59.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 1.013 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 2.9 p80 -175.88 -175.03 0.71 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.572 ' HG ' ' CE2' ' A' ' 78' ' ' PHE . 9.3 mt -56.56 -60.23 9.84 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.618 0.723 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.1 Cg_endo -69.78 9.0 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.656 2.238 . . . . 0.0 112.339 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 1.013 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -107.92 -22.07 12.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.57 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.2 pp -92.53 -40.14 10.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 23.8 mt -60.68 -34.57 74.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.481 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 5.4 pt-20 -72.39 -26.44 61.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.869 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -84.23 -22.25 30.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.547 ' CE1' HD23 ' A' ' 100' ' ' LEU . 3.2 m-85 -84.72 -24.78 28.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.481 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 31.0 mtpt -50.2 -19.59 0.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.475 HG13 ' N ' ' A' ' 98' ' ' HIS . 46.8 pt -112.87 -36.15 2.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.123 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.475 ' N ' HG13 ' A' ' 97' ' ' ILE . 56.8 m170 -87.99 134.91 33.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.702 ' CD2' HG23 ' A' ' 104' ' ' THR . 29.5 m-85 -85.25 114.09 22.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.547 HD23 ' CE1' ' A' ' 95' ' ' TYR . 13.6 mt -48.43 -71.04 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -121.33 -64.86 1.19 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.503 HG22 ' CG ' ' A' ' 61' ' ' GLU . 7.3 t -126.8 -5.17 6.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.401 HG23 ' N ' ' A' ' 104' ' ' THR . 1.2 t -151.52 -178.74 6.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.162 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.702 HG23 ' CD2' ' A' ' 99' ' ' TYR . 45.1 p -120.18 178.09 4.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.435 HD21 HD11 ' A' ' 100' ' ' LEU . 82.6 mt -86.99 101.78 13.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 18.8 mm -73.86 -71.59 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.117 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -150.57 152.33 32.39 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.669 0.747 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' A' ' 43' ' ' PHE . 53.4 Cg_endo -69.8 137.73 36.01 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.26 . . . . 0.0 112.338 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.589 ' HB1' ' HD2' ' A' ' 110' ' ' PRO . . . -51.04 160.86 0.77 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.629 0.728 . . . . 0.0 111.087 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.589 ' HD2' ' HB1' ' A' ' 109' ' ' ALA . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.205 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.781 0.324 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -127.41 99.28 5.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.401 ' CG ' ' HD3' ' A' ' 108' ' ' PRO . 29.9 p90 -165.5 172.6 11.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -106.17 92.4 4.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.495 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 82.4 p -54.99 -21.51 12.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 88.7 p -79.08 -41.89 27.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.589 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 14.7 t70 -64.6 95.16 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.835 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.597 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 22.1 mtm180 -58.33 -39.15 78.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 t -66.53 -3.91 7.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.403 ' HB2' ' OD1' ' A' ' 17' ' ' ASP . . . -101.73 -27.9 12.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.597 ' CZ2' ' HG3' ' A' ' 18' ' ' ARG . 31.2 p-90 -127.57 -46.49 1.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.944 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.511 ' N ' ' O ' ' A' ' 18' ' ' ARG . 26.1 t80 -65.92 101.5 0.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.963 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.776 ' HG3' HD13 ' A' ' 44' ' ' LEU . 4.2 mmt -79.39 -5.74 55.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.506 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 29.07 -91.84 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.499 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.507 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.8 Cg_endo -69.79 78.83 0.99 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.638 2.225 . . . . 0.0 112.343 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.758 HG21 ' HB3' ' A' ' 23' ' ' MET . 20.3 t -152.03 140.55 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.167 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 70.7 m -93.7 160.81 14.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -57.35 -53.76 54.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -49.11 -31.68 8.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.578 ' O ' HG22 ' A' ' 33' ' ' THR . 24.3 tt0 -78.88 -69.92 0.54 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.488 ' HB2' ' HD3' ' A' ' 46' ' ' ARG . . . -35.42 -36.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 36' ' ' GLN . 11.3 mt-30 -70.51 -46.66 63.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.961 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.578 HG22 ' O ' ' A' ' 30' ' ' GLU . 1.2 t -61.32 -23.31 65.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.172 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -83.18 -32.66 26.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.453 HD21 ' HB2' ' A' ' 109' ' ' ALA . 13.6 mt -106.25 5.39 29.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 32' ' ' GLN . 2.6 tp-100 -82.83 116.53 22.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.22 -3.33 72.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.509 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -72.88 166.96 21.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.855 0.36 . . . . 0.0 110.869 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.41 HH11 ' HE1' ' A' ' 42' ' ' MET . 0.0 OUTLIER -64.62 158.63 23.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.906 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 63.1 m170 -75.63 120.19 20.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 135.81 -21.98 3.51 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.474 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.41 ' HE1' HH11 ' A' ' 39' ' ' ARG . 26.9 ttm -66.18 152.19 45.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.83 0.348 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.527 ' HB2' HD21 ' A' ' 57' ' ' LEU . 9.3 p90 -159.2 171.23 20.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.776 HD13 ' HG3' ' A' ' 23' ' ' MET . 4.2 pp -174.05 150.11 1.55 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' A' ' 23' ' ' MET . 21.8 t -120.28 119.86 61.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.488 ' HD3' ' HB2' ' A' ' 31' ' ' ALA . 13.8 ptt85 -125.66 173.17 9.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -71.16 120.77 17.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.1 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.718 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.819 0.342 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -117.97 167.41 11.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 87.4 t -134.99 108.25 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.177 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.713 ' HB2' HD11 ' A' ' 70' ' ' ILE . 3.4 tt -87.71 99.23 11.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.5 m -81.4 118.7 22.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.65 HG23 ' CD2' ' A' ' 57' ' ' LEU . 1.3 t -116.79 156.67 17.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.476 ' N ' ' CG1' ' A' ' 59' ' ' VAL . 12.5 t -106.73 105.84 16.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.852 ' CG ' HG22 ' A' ' 102' ' ' THR . 1.7 tm-20 -154.94 145.49 22.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.499 ' ND2' ' OE2' ' A' ' 61' ' ' GLU . 75.3 m-20 62.52 51.45 3.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.7 p 43.59 30.67 0.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -155.41 166.14 34.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.9 t -92.23 106.7 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.534 ' HB3' ' CZ ' ' A' ' 68' ' ' TYR . 8.6 m -79.21 93.84 5.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -70.76 105.68 3.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.774 ' CE2' HD13 ' A' ' 100' ' ' LEU . 28.2 m-85 -99.24 93.62 6.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 69.8 mt -62.51 142.53 16.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.098 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.713 HD11 ' HB2' ' A' ' 57' ' ' LEU . 4.1 mp -117.55 113.83 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.093 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -75.31 134.43 41.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.7 t -88.5 121.28 30.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 24.4 mt -93.68 147.97 34.55 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.611 0.72 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -19.88 35.54 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.673 2.249 . . . . 0.0 112.369 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -84.68 28.84 0.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 56.01 46.52 21.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 66.0 mtp180 -144.63 155.72 43.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.459 ' CE2' ' CD2' ' A' ' 88' ' ' LEU . 96.0 m-85 -103.08 150.55 23.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -132.8 102.65 5.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.0 tt -87.28 104.42 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.33 -101.52 0.83 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.495 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -118.94 17.38 13.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.745 0.307 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -122.43 163.8 19.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -139.77 152.35 46.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.569 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 97.1 m-85 -141.64 -177.03 4.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -83.91 -28.98 27.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 1.005 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 3.3 p80 -175.62 -175.51 0.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.823 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.488 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 3.4 mm? -56.91 -60.31 9.88 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.606 0.717 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.6 Cg_endo -69.71 9.1 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.654 2.236 . . . . 0.0 112.353 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 1.005 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -106.05 -22.82 12.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.569 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.0 pp -97.83 -40.87 8.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.413 ' N ' HD12 ' A' ' 91' ' ' LEU . 11.0 mt -60.77 -35.85 77.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -72.3 -24.95 61.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -83.44 -28.63 28.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.503 ' CE1' HD23 ' A' ' 100' ' ' LEU . 11.1 m-85 -79.94 -18.82 49.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.93 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -53.06 -17.27 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.452 HG13 ' N ' ' A' ' 98' ' ' HIS . 45.9 pt -114.24 -33.83 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.452 ' N ' HG13 ' A' ' 97' ' ' ILE . 3.7 m-70 -85.01 155.89 21.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.526 ' CD2' HG23 ' A' ' 104' ' ' THR . 3.2 m-85 -108.51 120.32 42.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.774 HD13 ' CE2' ' A' ' 68' ' ' TYR . 6.7 mt -62.57 -72.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.941 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.03 -69.24 0.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.852 HG22 ' CG ' ' A' ' 61' ' ' GLU . 1.3 t -130.77 3.17 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.156 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 14.2 t -156.08 174.02 15.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.526 HG23 ' CD2' ' A' ' 99' ' ' TYR . 12.1 p -113.3 176.64 4.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 78.5 mt -83.93 112.36 20.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 23.1 mm -91.68 -70.65 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -144.46 148.64 41.24 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.568 0.699 . . . . 0.0 110.913 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.401 ' HD3' ' CG ' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.81 134.78 28.71 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.672 2.248 . . . . 0.0 112.328 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.453 ' HB2' HD21 ' A' ' 35' ' ' LEU . . . -41.73 153.94 0.26 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.659 0.743 . . . . 0.0 111.062 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.22 0 C-N-CA 122.658 2.238 . . . . 0.0 112.319 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.816 0.341 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -119.97 91.99 3.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -141.86 168.22 20.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -98.86 90.14 4.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.495 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 62.6 p -52.4 -27.86 17.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.87 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 82.8 p -75.85 -41.04 53.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.791 ' OD2' ' HB2' ' A' ' 20' ' ' ALA . 17.0 t70 -64.52 92.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.591 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 19.6 mtm180 -62.74 -34.86 78.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.4 t -70.23 1.16 5.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.791 ' HB2' ' OD2' ' A' ' 17' ' ' ASP . . . -109.01 -26.8 10.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.595 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 58.3 p-90 -128.65 -43.83 1.38 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.518 ' HH ' ' HE1' ' A' ' 55' ' ' TYR . 27.8 t80 -66.64 113.62 4.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.747 ' HB3' HG21 ' A' ' 26' ' ' VAL . 6.5 mmt -94.54 -4.9 47.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.517 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 28.05 -91.2 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.436 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.521 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.9 Cg_endo -69.74 79.04 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.664 2.242 . . . . 0.0 112.365 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.747 HG21 ' HB3' ' A' ' 23' ' ' MET . 12.7 t -151.56 129.66 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.8 m -77.89 157.67 29.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 28' ' ' ARG . 15.3 ttp-105 -57.57 -52.84 63.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -51.4 -34.36 34.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.883 ' O ' HG22 ' A' ' 33' ' ' THR . 10.1 tt0 -71.4 -65.01 0.81 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.625 ' HB1' HD21 ' A' ' 44' ' ' LEU . . . -40.35 -33.42 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.516 ' HA ' HG21 ' A' ' 65' ' ' VAL . 10.7 mt-30 -66.9 -47.91 70.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.883 HG22 ' O ' ' A' ' 30' ' ' GLU . 11.0 t -62.2 -24.85 67.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -80.98 -31.49 34.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.457 ' CD2' ' HG2' ' A' ' 42' ' ' MET . 25.0 mt -111.03 11.36 22.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 32' ' ' GLN . 2.9 tp-100 -87.56 113.08 22.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.87 -26.69 4.12 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.486 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -48.37 163.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.338 . . . . 0.0 110.919 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.55 151.24 8.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.457 ' CG ' ' OE1' ' A' ' 61' ' ' GLU . 40.3 m170 -68.8 126.4 29.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 127.24 -38.1 2.22 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.47 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.457 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 30.8 ttm -41.63 154.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.835 0.35 . . . . 0.0 110.847 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -160.65 169.25 23.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.753 HD12 ' C ' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -170.3 146.35 2.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.44 HG22 HD23 ' A' ' 57' ' ' LEU . 20.9 t -120.3 110.26 28.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.408 ' NH1' ' O ' ' A' ' 26' ' ' VAL . 13.6 ptt85 -112.55 -178.4 3.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -86.71 116.52 24.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.427 ' HB2' HG23 ' A' ' 56' ' ' VAL . 8.2 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.421 ' O ' ' CB ' ' A' ' 48' ' ' SER . 20.4 m-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.844 0.354 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.518 ' HE1' ' HH ' ' A' ' 22' ' ' TYR . 23.3 m-85 -112.45 166.81 10.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.427 HG23 ' HB2' ' A' ' 48' ' ' SER . 96.5 t -140.38 106.98 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.825 HD13 ' O ' ' A' ' 57' ' ' LEU . 1.5 tm? -87.2 105.29 17.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 65.4 m -97.35 149.8 21.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.647 HG22 ' HB2' ' A' ' 66' ' ' SER . 1.4 m -144.16 158.34 15.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.4 t -99.17 104.81 16.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.822 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.457 ' OE1' ' CG ' ' A' ' 40' ' ' HIS . 12.1 tp10 -157.78 161.03 38.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 39.0 m-20 56.33 29.79 15.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.932 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.6 m 62.5 25.01 14.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -152.48 -175.37 5.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.516 HG21 ' HA ' ' A' ' 32' ' ' GLN . 39.6 t -110.76 112.06 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.647 ' HB2' HG22 ' A' ' 59' ' ' VAL . 24.8 m -83.82 101.27 11.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -82.38 100.14 9.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -97.26 103.6 15.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.962 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 99.0 mt -69.61 141.09 17.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.126 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.426 ' CG2' ' HB3' ' A' ' 78' ' ' PHE . 4.5 mp -112.82 113.34 43.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.175 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -76.7 130.78 38.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.9 t -81.75 119.81 24.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.661 HD21 ' HB2' ' A' ' 79' ' ' LYS . 22.8 mt -89.38 149.95 43.7 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.619 0.723 . . . . 0.0 110.893 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -23.8 30.51 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.725 2.283 . . . . 0.0 112.32 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -83.03 43.32 0.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 76' ' ' ARG . 5.2 mmm180 43.96 43.5 5.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 43.5 mtt85 -141.24 163.57 32.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.426 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 25.9 m-85 -112.22 153.54 26.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.661 ' HB2' HD21 ' A' ' 73' ' ' LEU . 47.3 tttt -132.71 103.37 6.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.4 tt -94.67 103.14 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.101 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 76.39 -109.13 2.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.48 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -117.86 24.89 10.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.749 0.309 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 51.2 mm-40 -131.46 170.43 14.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -142.03 147.28 36.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.576 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 96.7 m-85 -138.03 170.32 16.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.861 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.31 -33.12 75.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 1.02 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 3.2 p80 -173.31 -175.0 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.834 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.499 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 9.0 mt -57.54 -60.05 11.04 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.645 0.736 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.7 Cg_endo -69.71 11.13 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.709 2.273 . . . . 0.0 112.362 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 1.02 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -110.2 -21.64 12.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.576 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.4 pp -91.31 -40.79 11.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.447 ' N ' HD12 ' A' ' 91' ' ' LEU . 16.3 mt -59.56 -33.29 71.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -74.4 -24.94 59.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -83.01 -26.83 30.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -78.47 -22.45 47.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -51.09 -18.22 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 45.4 pt -117.66 -33.75 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -88.35 137.54 32.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.614 ' CD2' HG23 ' A' ' 104' ' ' THR . 2.2 m-85 -91.51 115.98 28.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.963 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.565 ' H ' HD12 ' A' ' 100' ' ' LEU . 3.4 mp -53.74 -69.6 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -114.27 -69.08 0.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.5 t -130.12 -1.34 4.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.142 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.4 t -150.19 177.29 10.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.614 HG23 ' CD2' ' A' ' 99' ' ' TYR . 77.2 p -118.91 -179.2 3.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.5 mt -88.01 119.41 28.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 21.0 mm -94.06 -67.74 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -149.14 145.09 18.79 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.613 0.72 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 138.58 38.16 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.68 2.253 . . . . 0.0 112.387 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.482 ' HB1' ' HD2' ' A' ' 110' ' ' PRO . . . -57.21 157.4 12.2 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.57 0.7 . . . . 0.0 111.109 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.482 ' HD2' ' HB1' ' A' ' 109' ' ' ALA . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.21 0 C-N-CA 122.669 2.246 . . . . 0.0 112.395 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.761 0.315 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -128.8 90.27 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.578 ' CZ ' ' HE3' ' A' ' 96' ' ' LYS . 54.0 p90 -155.4 148.67 24.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -80.13 97.72 6.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.496 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 9.4 t -61.62 -18.1 58.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.4 t -78.08 -35.52 49.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.595 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 35.5 t0 -68.72 95.67 0.68 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.585 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 13.4 mtm180 -63.59 -37.68 88.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.3 t -67.68 -2.54 7.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -103.99 -28.43 11.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.061 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.595 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 55.7 p-90 -128.15 -44.46 1.43 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.51 ' N ' ' O ' ' A' ' 18' ' ' ARG . 8.3 t80 -62.53 102.65 0.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.95 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.726 ' HB3' HG21 ' A' ' 26' ' ' VAL . 4.6 mmt -81.68 -9.32 59.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.504 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 28.68 -91.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.482 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.513 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.3 Cg_endo -69.83 78.73 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.636 2.224 . . . . 0.0 112.328 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.726 HG21 ' HB3' ' A' ' 23' ' ' MET . 5.3 t -149.83 146.03 17.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.4 m -98.01 145.86 26.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.1 ttt-85 -47.47 -52.17 18.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -48.26 -32.66 7.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 32' ' ' GLN . 11.9 tt0 -76.03 -68.76 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.433 ' CB ' ' HD3' ' A' ' 46' ' ' ARG . . . -36.9 -28.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.077 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' A' ' 30' ' ' GLU . 8.3 mt-30 -71.5 -53.02 15.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.2 t -62.21 -21.05 64.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.173 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -79.59 -33.77 41.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.6 mt -109.75 3.95 21.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' GLN . 4.1 tp60 -80.49 106.73 12.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.86 8.86 75.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -85.97 163.0 18.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.818 0.342 . . . . 0.0 110.897 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.37 149.51 24.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 39.0 m170 -68.08 117.55 10.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 138.59 -27.27 2.73 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.42 ' HG2' ' HB2' ' A' ' 109' ' ' ALA . 24.9 ttm -58.22 153.87 14.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.476 ' HB2' HD21 ' A' ' 57' ' ' LEU . 6.3 p90 -160.93 171.18 19.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.483 ' O ' HD12 ' A' ' 44' ' ' LEU . 4.6 pp -174.64 146.24 0.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.2 t -115.96 113.22 42.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.527 HH12 HG11 ' A' ' 56' ' ' VAL . 0.2 OUTLIER -114.43 174.6 5.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.919 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.31 119.51 20.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 22.9 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.469 ' O ' ' CB ' ' A' ' 48' ' ' SER . 1.8 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.8 0.333 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -122.92 167.85 13.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.527 HG11 HH12 ' A' ' 46' ' ' ARG . 61.5 t -137.4 113.08 11.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.159 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.745 ' HB2' HD11 ' A' ' 70' ' ' ILE . 3.0 tt -92.84 94.27 8.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.972 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.4 m -77.38 116.81 18.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.647 HG23 ' CD2' ' A' ' 57' ' ' LEU . 1.0 OUTLIER -116.33 151.51 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.11 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.8 t -97.31 118.39 33.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.665 ' CG ' HG22 ' A' ' 102' ' ' THR . 7.2 tp10 -166.32 143.02 5.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 59.21 50.82 7.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.3 t 42.52 32.19 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.1 ptt-85 -146.99 176.4 9.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.408 HG21 ' HA ' ' A' ' 32' ' ' GLN . 6.5 t -103.83 98.2 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 68' ' ' TYR . 20.1 m -73.72 90.89 1.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 -75.42 108.01 7.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.594 ' HB3' HD11 ' A' ' 80' ' ' ILE . 32.6 m-85 -100.0 95.28 6.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.984 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 69.1 mt -61.27 144.9 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.745 HD11 ' HB2' ' A' ' 57' ' ' LEU . 5.2 mp -114.58 119.55 61.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.15 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -82.08 122.13 27.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.4 t -81.57 107.55 14.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.829 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 55.8 mt -79.83 143.94 59.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.58 0.705 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -13.41 34.7 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 41.8 p-10 -85.31 27.98 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 60.41 37.15 20.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -143.01 167.25 22.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.418 ' CD1' ' N ' ' A' ' 78' ' ' PHE . 4.0 m-85 -113.25 166.71 11.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -148.98 105.49 3.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.594 HD11 ' HB3' ' A' ' 68' ' ' TYR . 4.7 tt -91.07 105.34 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.18 -105.72 2.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.523 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -119.18 15.39 13.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.761 0.315 . . . . 0.0 110.852 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -121.07 157.7 29.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -127.05 149.25 50.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.602 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 95.8 m-85 -138.83 171.92 13.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -71.72 -30.37 65.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 1.01 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 3.0 p80 -175.5 -175.01 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.498 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 8.8 mt -57.09 -59.83 11.48 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.644 0.735 . . . . 0.0 110.964 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.8 Cg_endo -69.76 10.48 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.651 2.234 . . . . 0.0 112.341 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 1.01 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -110.15 -19.16 13.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.081 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.602 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.2 pp -93.96 -40.73 9.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 28.5 mt -62.35 -44.41 96.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 94' ' ' PHE . 6.9 pt-20 -62.17 -27.95 69.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.411 ' N ' ' HG3' ' A' ' 93' ' ' GLU . 27.4 t80 -80.29 -34.95 36.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.673 ' CE1' HD23 ' A' ' 100' ' ' LEU . 26.5 m-85 -77.03 -9.0 58.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.578 ' HE3' ' CZ ' ' A' ' 13' ' ' PHE . 56.7 mttt -58.71 -21.29 54.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.889 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.493 HG13 ' CD2' ' A' ' 98' ' ' HIS . 38.7 pt -113.12 -35.79 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.493 ' CD2' HG13 ' A' ' 97' ' ' ILE . 45.9 m170 -90.08 132.0 35.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.724 ' CD2' HG23 ' A' ' 104' ' ' THR . 6.4 m-85 -82.0 114.9 20.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.952 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.673 HD23 ' CE1' ' A' ' 95' ' ' TYR . 6.6 mt -46.63 -70.2 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -111.12 -64.59 1.26 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.665 HG22 ' CG ' ' A' ' 61' ' ' GLU . 2.8 t -133.82 -0.29 3.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.6 t -151.24 171.28 17.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.724 HG23 ' CD2' ' A' ' 99' ' ' TYR . 2.0 p -107.21 -179.8 4.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.407 HD21 HD11 ' A' ' 100' ' ' LEU . 97.7 mt -92.61 106.61 18.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 22.7 mm -78.87 -67.19 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -155.54 151.91 23.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.659 0.742 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.404 ' HA ' ' O ' ' A' ' 43' ' ' PHE . 54.1 Cg_endo -69.71 143.89 52.53 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.42 ' HB2' ' HG2' ' A' ' 42' ' ' MET . . . -65.14 150.05 96.02 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.582 0.706 . . . . 0.0 111.098 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.341 0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.383 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.765 0.317 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.7 mmm-85 -131.78 94.27 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -156.97 -176.49 6.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -113.55 89.21 3.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.492 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 58.6 m -56.49 -24.87 49.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.816 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 m -74.81 -38.76 62.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.596 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 16.5 t70 -72.8 110.45 7.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.584 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 5.7 mtm-85 -70.14 -36.01 74.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.3 t -66.31 -3.57 6.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -101.67 -28.64 12.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.121 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.596 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 49.4 p-90 -128.96 -44.97 1.28 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.943 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.518 ' N ' ' CE3' ' A' ' 21' ' ' TRP . 7.8 t80 -54.17 122.05 9.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.698 ' HG3' HD13 ' A' ' 44' ' ' LEU . 7.9 mmt -103.23 -4.08 24.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.51 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 29.01 -91.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.512 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.8 Cg_endo -69.81 78.99 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.697 HG21 ' HB3' ' A' ' 23' ' ' MET . 39.3 t -156.93 135.98 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.0 m -97.52 174.8 6.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -62.94 -47.17 84.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -55.58 -35.89 66.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.946 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.832 ' O ' HG22 ' A' ' 33' ' ' THR . 15.0 tt0 -75.31 -65.16 0.92 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.83 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.772 ' HB2' ' HD3' ' A' ' 46' ' ' ARG . . . -39.99 -29.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.075 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.5 ' O ' ' N ' ' A' ' 36' ' ' GLN . 8.4 mt-30 -71.16 -49.69 41.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.832 HG22 ' O ' ' A' ' 30' ' ' GLU . 12.0 t -59.13 -24.89 63.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.417 ' NH1' ' HB3' ' A' ' 34' ' ' ARG . 1.5 mtp-105 -81.13 -33.54 33.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.469 ' HB2' HG22 ' A' ' 65' ' ' VAL . 24.2 mt -108.32 9.39 27.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 32' ' ' GLN . 2.5 tp60 -88.62 106.27 18.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.16 -9.96 76.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.494 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -68.83 162.71 25.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 -61.06 145.29 51.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 38.1 m170 -58.09 139.22 55.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 42' ' ' MET . . . 116.16 -47.62 1.02 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.462 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 41' ' ' GLY . 31.3 ttm -37.05 152.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.337 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.617 ' HB2' HG12 ' A' ' 59' ' ' VAL . 9.9 p90 -157.24 168.57 27.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.698 HD13 ' HG3' ' A' ' 23' ' ' MET . 3.2 pp -169.93 142.83 2.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.6 t -117.45 108.71 25.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.772 ' HD3' ' HB2' ' A' ' 31' ' ' ALA . 13.0 ptt85 -110.94 163.87 13.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -67.22 118.16 10.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.6 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.772 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.853 0.358 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -119.1 171.49 8.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 86.8 t -145.5 111.16 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.766 HD13 ' C ' ' A' ' 57' ' ' LEU . 1.4 tm? -92.41 112.75 24.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.955 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.428 ' HB3' ' CG1' ' A' ' 65' ' ' VAL . 17.6 m -107.23 141.08 39.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.617 HG12 ' HB2' ' A' ' 43' ' ' PHE . 12.3 m -137.1 163.88 31.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.125 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.3 t -92.97 98.2 11.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.944 ' CD ' HG22 ' A' ' 102' ' ' THR . 16.4 tt0 -148.6 152.87 37.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 57.1 53.28 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.4 t 41.75 30.51 0.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.1 ptt180 -159.49 -175.66 5.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.469 HG22 ' HB2' ' A' ' 35' ' ' LEU . 49.2 t -105.68 105.44 18.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.44 ' HB3' ' CZ ' ' A' ' 68' ' ' TYR . 15.5 m -73.44 99.98 3.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -80.41 104.51 11.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.852 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.44 ' CZ ' ' HB3' ' A' ' 66' ' ' SER . 27.3 m-85 -102.64 109.05 20.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 87.4 mt -74.33 145.05 11.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.115 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.5 mp -116.1 113.16 42.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -75.24 132.73 41.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.3 t -90.96 120.27 31.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.5 mt -91.13 151.66 43.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.589 0.709 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -21.23 33.68 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.656 2.237 . . . . 0.0 112.319 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -84.94 44.32 1.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 62.3 mtt-85 41.93 45.53 3.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 22.3 mtt85 -145.07 151.27 38.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -102.06 165.98 10.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -145.62 109.26 4.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.528 ' O ' HG23 ' A' ' 80' ' ' ILE . 7.9 tt -97.99 99.11 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.47 -103.83 2.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.448 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -119.9 21.52 11.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.801 0.334 . . . . 0.0 110.856 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -131.99 167.12 20.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -138.42 158.56 44.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.604 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 93.9 m-85 -146.3 170.09 17.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.61 -35.91 81.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 1.048 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 3.8 p80 -167.88 -175.77 2.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.508 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 9.3 mt -58.52 -59.67 12.8 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.601 0.715 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.9 Cg_endo -69.76 12.57 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.651 2.234 . . . . 0.0 112.352 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 1.048 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -110.45 -24.13 10.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.604 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.5 pp -88.71 -41.57 12.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.433 ' N ' HD12 ' A' ' 91' ' ' LEU . 7.1 mt -56.29 -40.61 74.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.954 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.485 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 6.0 mt-10 -66.15 -27.38 67.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -80.96 -19.29 44.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.555 ' CE1' HD23 ' A' ' 100' ' ' LEU . 6.4 m-85 -92.0 -23.53 19.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.907 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.485 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 16.9 mtpt -48.51 -20.41 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.897 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 48.7 pt -114.28 -30.91 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.14 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.436 ' O ' HG22 ' A' ' 104' ' ' THR . 3.8 m-70 -88.47 149.95 23.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.596 ' CD2' HG23 ' A' ' 104' ' ' THR . 19.0 m-85 -99.8 113.75 26.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.555 HD23 ' CE1' ' A' ' 95' ' ' TYR . 7.7 mt -54.18 -65.78 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.951 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.42 ' CB ' ' OE2' ' A' ' 61' ' ' GLU . 6.2 m-20 -118.89 -63.91 1.34 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.944 HG22 ' CD ' ' A' ' 61' ' ' GLU . 7.6 t -134.51 -0.61 2.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 10.5 t -150.56 179.12 8.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.15 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.596 HG23 ' CD2' ' A' ' 99' ' ' TYR . 60.7 p -116.15 -175.4 2.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.415 HD12 ' HB2' ' A' ' 95' ' ' TYR . 91.5 mt -95.87 104.37 16.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 14.4 mm -81.41 -72.31 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -149.99 146.91 21.05 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.638 0.732 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 152.34 69.35 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.694 2.262 . . . . 0.0 112.354 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.55 149.32 95.54 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.575 0.702 . . . . 0.0 111.042 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.339 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.78 0.324 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -128.46 93.42 3.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -157.32 146.06 19.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.822 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -77.35 105.79 8.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.473 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 36.6 p -64.86 -24.78 67.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 m -77.69 -31.59 52.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.878 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.472 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 11.6 t0 -69.1 96.56 0.81 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.584 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 6.0 mtm-85 -64.14 -38.27 90.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.3 t -65.69 -4.32 6.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.08 -32.69 10.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.097 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.584 ' CZ2' ' HG3' ' A' ' 18' ' ' ARG . 54.3 p-90 -123.54 -45.17 2.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.541 ' N ' ' CE3' ' A' ' 21' ' ' TRP . 5.5 t80 -55.24 132.02 46.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.713 ' HB3' HG21 ' A' ' 26' ' ' VAL . 13.4 mmt -119.69 -9.95 9.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.49 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 30.83 -91.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.45 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.518 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.7 Cg_endo -69.73 79.4 0.94 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.645 2.23 . . . . 0.0 112.327 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.713 HG21 ' HB3' ' A' ' 23' ' ' MET . 46.3 t -155.4 131.19 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 61.5 p -85.08 160.41 19.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.416 ' HB2' ' NH2' ' A' ' 46' ' ' ARG . 45.5 ttm-85 -57.82 -54.23 49.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -46.08 -40.73 11.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.726 ' O ' HG22 ' A' ' 33' ' ' THR . 12.6 tt0 -67.04 -66.31 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.482 ' HB1' HD11 ' A' ' 44' ' ' LEU . . . -42.31 -33.33 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 36' ' ' GLN . 23.9 mt-30 -71.41 -44.33 65.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.726 HG22 ' O ' ' A' ' 30' ' ' GLU . 1.4 t -62.47 -22.38 66.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.688 HH21 HD22 ' A' ' 44' ' ' LEU . 6.3 mtm180 -85.16 -33.05 22.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.8 mt -105.63 5.39 31.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 32' ' ' GLN . 3.0 tp-100 -82.86 107.78 15.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.52 14.56 79.83 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.526 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.403 ' CG ' ' O ' ' A' ' 34' ' ' ARG . 12.7 mm100 -90.73 173.51 7.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.347 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -65.25 128.95 37.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 58.1 m170 -51.74 127.2 20.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 129.84 -35.24 2.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.458 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.637 ' HG2' ' HB2' ' A' ' 109' ' ' ALA . 21.4 ttm -51.71 148.55 5.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.748 0.309 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.697 ' HB2' HD21 ' A' ' 57' ' ' LEU . 6.5 p90 -154.29 165.62 35.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.834 ' O ' HD12 ' A' ' 44' ' ' LEU . 3.4 pp -170.94 132.13 0.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.2 t -100.77 126.76 54.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.479 HH12 HG11 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -131.56 157.09 44.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -62.52 125.12 22.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.776 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.782 0.325 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -134.98 171.17 14.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.479 HG11 HH12 ' A' ' 46' ' ' ARG . 94.6 t -139.91 117.83 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.174 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.758 ' CD2' HG23 ' A' ' 59' ' ' VAL . 5.3 tt -96.95 95.74 8.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.7 m -78.1 111.62 14.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.758 HG23 ' CD2' ' A' ' 57' ' ' LEU . 1.0 OUTLIER -112.76 151.27 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.103 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 t -97.36 97.42 9.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.84 ' CD ' HG22 ' A' ' 102' ' ' THR . 8.9 tt0 -144.15 145.85 32.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.836 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.9 m120 60.53 53.88 3.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 m 40.77 33.14 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -154.68 176.84 11.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.1 t -98.78 98.26 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.484 ' HB3' ' CZ ' ' A' ' 68' ' ' TYR . 14.1 m -74.75 91.21 2.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -73.15 107.49 5.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.709 ' CE2' HD13 ' A' ' 100' ' ' LEU . 36.7 m-85 -98.8 94.97 6.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 77.9 mt -62.39 142.28 16.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.148 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.633 HD11 ' HB2' ' A' ' 57' ' ' LEU . 5.3 mp -116.16 109.11 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -69.27 142.92 54.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.9 t -96.17 105.45 17.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.432 HD12 ' HB3' ' A' ' 77' ' ' ARG . 52.5 mt -71.68 146.54 91.16 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.668 0.746 . . . . 0.0 110.887 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -22.9 31.53 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.69 2.26 . . . . 0.0 112.337 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.516 ' H ' ' ND2' ' A' ' 75' ' ' ASN . 1.6 p30 -86.39 46.49 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 44.77 48.2 8.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.468 ' CD ' ' O ' ' A' ' 75' ' ' ASN . 6.6 mpt_? -145.99 169.95 17.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -119.57 159.37 24.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -142.24 112.21 6.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.596 HG21 ' HE2' ' A' ' 95' ' ' TYR . 4.0 tt -96.71 100.17 10.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.7 -104.62 2.1 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.04 20.32 12.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.781 0.324 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -129.11 157.95 40.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -131.25 153.45 49.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.59 ' CD2' ' HB2' ' A' ' 91' ' ' LEU . 98.1 m-85 -141.38 174.99 10.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.06 -30.76 68.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 1.014 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 2.8 p80 -175.72 -174.99 0.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.5 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 8.8 mt -56.62 -60.0 10.6 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.623 0.725 . . . . 0.0 110.925 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.5 Cg_endo -69.76 9.31 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.68 2.253 . . . . 0.0 112.322 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 1.014 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -109.21 -19.81 13.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.073 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.59 ' HB2' ' CD2' ' A' ' 85' ' ' PHE . 3.0 pp -92.13 -40.5 11.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.2 mt -61.37 -39.23 89.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.425 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 7.1 pt-20 -66.67 -24.96 66.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -88.44 -14.33 38.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.596 ' HE2' HG21 ' A' ' 80' ' ' ILE . 3.0 m-85 -94.78 -20.55 19.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.425 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 30.3 mtpt -55.19 -21.18 12.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.453 HG13 ' N ' ' A' ' 98' ' ' HIS . 39.0 pt -110.4 -33.36 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.453 ' N ' HG13 ' A' ' 97' ' ' ILE . 3.8 m-70 -88.22 143.49 27.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.78 ' CD2' HG23 ' A' ' 104' ' ' THR . 7.2 m-85 -93.3 114.65 27.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.709 HD13 ' CE2' ' A' ' 68' ' ' TYR . 7.5 mt -49.84 -72.46 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -117.52 -65.28 1.2 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.84 HG22 ' CD ' ' A' ' 61' ' ' GLU . 7.0 t -127.37 -3.63 6.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.128 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.3 t -148.68 -175.61 5.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.78 HG23 ' CD2' ' A' ' 99' ' ' TYR . 80.9 p -124.41 179.08 5.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 96.7 mt -87.06 105.78 17.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 19.1 mm -80.49 -72.35 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.113 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -149.63 148.59 26.21 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.607 0.718 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 134.92 28.98 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.651 2.234 . . . . 0.0 112.328 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.637 ' HB2' ' HG2' ' A' ' 42' ' ' MET . . . -57.04 154.78 18.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.594 0.711 . . . . 0.0 111.102 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.403 ' HD2' ' HB1' ' A' ' 109' ' ' ALA . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.805 0.336 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -95.19 100.13 11.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -160.55 176.11 11.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.08 133.67 43.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.418 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 88.5 p -95.99 -36.75 10.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.2 t -76.31 -37.29 57.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.599 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 27.1 t0 -64.49 91.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.597 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 5.2 mtm105 -63.08 -37.33 86.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.3 t -66.8 -3.14 6.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -102.67 -28.63 12.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.075 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 41.4 p-90 -127.46 -45.52 1.5 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.51 ' N ' ' O ' ' A' ' 18' ' ' ARG . 23.3 t80 -61.55 110.91 1.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.721 ' HB3' HG21 ' A' ' 26' ' ' VAL . 5.4 mmt -90.59 -3.4 57.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.938 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.503 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 28.65 -91.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.516 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.7 Cg_endo -69.79 78.88 0.99 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.33 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.721 HG21 ' HB3' ' A' ' 23' ' ' MET . 32.4 t -155.79 135.46 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.2 p -96.48 160.91 14.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -52.79 -54.16 38.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -44.47 -44.27 8.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.844 ' O ' HG22 ' A' ' 33' ' ' THR . 18.2 tt0 -70.93 -63.72 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.448 ' HB2' ' HD3' ' A' ' 46' ' ' ARG . . . -36.86 -39.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.552 ' HA ' HG21 ' A' ' 65' ' ' VAL . 13.1 mt-30 -61.22 -52.13 66.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.844 HG22 ' O ' ' A' ' 30' ' ' GLU . 6.2 t -60.08 -23.25 63.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.101 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -80.28 -30.38 38.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.551 ' CD2' ' HB2' ' A' ' 109' ' ' ALA . 13.7 mt -116.19 14.21 15.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 32' ' ' GLN . 4.3 tp60 -87.98 108.45 19.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.71 -28.09 9.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.461 ' HB3' ' HE3' ' A' ' 42' ' ' MET . 14.1 mm-40 -50.34 162.44 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.784 0.326 . . . . 0.0 110.927 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.63 158.07 4.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 44.4 m170 -71.99 126.84 30.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 128.57 -40.07 1.78 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.461 ' HE3' ' HB3' ' A' ' 38' ' ' GLN . 28.3 ttm -42.43 149.91 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.329 . . . . 0.0 110.868 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 108' ' ' PRO . 17.3 p90 -156.17 174.21 15.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.598 HD13 ' HG3' ' A' ' 23' ' ' MET . 3.6 pp -174.72 146.37 0.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.742 HG11 HD11 ' A' ' 88' ' ' LEU . 17.0 t -119.01 107.0 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.53 ' HD2' HG12 ' A' ' 26' ' ' VAL . 18.6 ptt-85 -108.57 172.4 6.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -78.03 120.87 23.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.434 ' HB2' HG23 ' A' ' 56' ' ' VAL . 46.5 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.815 0.34 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -122.89 172.62 8.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.434 HG23 ' HB2' ' A' ' 48' ' ' SER . 65.4 t -140.92 105.87 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.155 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.793 HD13 ' C ' ' A' ' 57' ' ' LEU . 1.5 tm? -90.71 113.34 25.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.6 m -103.26 154.46 19.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.513 HG22 ' HB2' ' A' ' 66' ' ' SER . 1.4 m -150.59 154.32 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.7 t -90.81 90.98 8.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.841 ' CD ' HG22 ' A' ' 102' ' ' THR . 22.4 tt0 -138.86 151.36 46.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.849 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.455 ' N ' ' HG2' ' A' ' 61' ' ' GLU . 27.3 m-80 58.96 39.81 23.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.862 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.5 t 54.34 28.41 9.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -153.21 179.65 8.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.552 HG21 ' HA ' ' A' ' 32' ' ' GLN . 47.6 t -105.83 98.81 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.513 ' HB2' HG22 ' A' ' 59' ' ' VAL . 3.8 m -70.51 104.8 2.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -84.13 101.27 11.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -97.76 107.79 20.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 88.2 mt -75.15 135.85 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.112 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.43 ' CG2' ' HB3' ' A' ' 78' ' ' PHE . 3.9 mp -102.9 103.44 15.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.164 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -66.35 131.72 46.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.3 t -84.7 116.56 23.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.583 HD21 ' HB2' ' A' ' 79' ' ' LYS . 28.8 mt -84.39 151.59 59.55 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.621 0.724 . . . . 0.0 110.945 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -20.62 34.7 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.257 . . . . 0.0 112.333 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -89.92 42.06 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 44.21 51.44 7.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.411 ' HB3' HD12 ' A' ' 73' ' ' LEU . 73.3 mtt180 -143.71 161.77 37.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.566 ' CE2' ' CD2' ' A' ' 88' ' ' LEU . 33.2 m-85 -106.43 157.78 17.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.837 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.583 ' HB2' HD21 ' A' ' 73' ' ' LEU . 11.3 tttp -142.28 105.95 4.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.529 ' O ' HG23 ' A' ' 80' ' ' ILE . 7.2 tt -96.9 101.59 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.69 -107.98 2.53 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.492 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -117.01 28.42 8.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.74 0.305 . . . . 0.0 110.842 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -136.88 162.59 32.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -135.26 145.73 47.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.603 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 98.9 m-85 -132.84 -176.4 4.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -87.79 -29.16 21.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 1.01 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 3.0 p80 -175.72 -174.94 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.742 HD11 HG11 ' A' ' 45' ' ' VAL . 3.5 mm? -56.71 -60.29 9.79 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.611 0.719 . . . . 0.0 110.873 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.7 Cg_endo -69.8 9.87 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.685 2.256 . . . . 0.0 112.34 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 1.01 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -108.78 -21.32 12.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.603 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.6 pp -98.55 -42.49 7.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.569 ' N ' HD12 ' A' ' 91' ' ' LEU . 28.4 mt -58.05 -36.19 72.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -72.64 -31.99 65.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -74.9 -22.17 58.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -82.3 -28.46 31.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -47.75 -19.85 0.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 46.0 pt -113.18 -31.07 2.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.114 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.416 ' O ' HG22 ' A' ' 104' ' ' THR . 4.7 m-70 -96.58 137.98 34.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.78 ' CD2' HG23 ' A' ' 104' ' ' THR . 7.5 m-85 -90.59 116.6 28.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.7 mp -49.42 -68.3 0.19 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -120.91 -65.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.841 HG22 ' CD ' ' A' ' 61' ' ' GLU . 12.9 t -129.49 -6.3 4.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 9.0 t -146.42 174.32 11.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.78 HG23 ' CD2' ' A' ' 99' ' ' TYR . 32.5 p -114.93 176.53 5.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 87.3 mt -83.57 117.15 22.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 44.4 mm -93.48 -69.03 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.92 150.7 26.59 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.658 0.742 . . . . 0.0 110.865 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' A' ' 43' ' ' PHE . 53.7 Cg_endo -69.74 133.94 26.82 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.729 2.286 . . . . 0.0 112.336 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.551 ' HB2' ' CD2' ' A' ' 35' ' ' LEU . . . -43.77 151.18 0.51 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.575 0.702 . . . . 0.0 111.114 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.165 0 C-N-CA 122.686 2.257 . . . . 0.0 112.364 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.786 0.327 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -108.96 84.16 1.88 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -141.46 174.99 10.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -101.72 116.68 33.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.489 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 8.1 p -79.15 -31.27 43.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.3 m -72.01 -39.4 69.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.582 ' OD2' ' HB2' ' A' ' 20' ' ' ALA . 25.9 t70 -65.58 99.86 0.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.591 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 12.8 mtt85 -68.23 -35.9 78.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.3 t -66.03 -4.44 7.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.582 ' HB2' ' OD2' ' A' ' 17' ' ' ASP . . . -99.69 -33.8 10.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.077 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.591 ' CZ2' ' HG3' ' A' ' 18' ' ' ARG . 55.1 p-90 -121.77 -45.18 2.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.509 ' N ' ' O ' ' A' ' 18' ' ' ARG . 8.0 t80 -61.31 110.46 1.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.671 ' HB3' HG21 ' A' ' 26' ' ' VAL . 6.4 mmt -90.73 -3.2 57.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.509 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 29.2 -91.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.484 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.508 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.5 Cg_endo -69.79 78.84 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.646 2.231 . . . . 0.0 112.356 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.671 HG21 ' HB3' ' A' ' 23' ' ' MET . 41.0 t -157.61 128.23 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.1 p -87.72 178.41 6.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.447 ' NE ' ' OE1' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -69.82 -44.29 70.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 -179.881 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -57.1 -32.22 66.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.904 ' O ' HG22 ' A' ' 33' ' ' THR . 17.3 tt0 -80.52 -67.8 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.453 ' HB2' ' HD3' ' A' ' 46' ' ' ARG . . . -34.31 -40.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.516 ' HA ' HG11 ' A' ' 65' ' ' VAL . 11.6 mt-30 -60.19 -53.33 58.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.904 HG22 ' O ' ' A' ' 30' ' ' GLU . 10.4 t -56.84 -24.84 54.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -79.05 -31.8 44.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.492 HD21 HD23 ' A' ' 44' ' ' LEU . 6.3 mt -114.01 14.27 18.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 32' ' ' GLN . 2.8 tp-100 -84.91 108.05 17.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.44 -0.36 85.11 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.464 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -71.09 170.55 12.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.85 0.357 . . . . 0.0 110.856 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 39' ' ' ARG . 1.0 OUTLIER -57.99 145.95 34.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 47.0 m170 -69.43 119.73 14.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 131.91 -26.34 3.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.461 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 29.8 ttm -53.96 149.64 8.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.583 ' HB2' HD21 ' A' ' 57' ' ' LEU . 15.3 p90 -155.27 165.49 36.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.544 HD12 ' C ' ' A' ' 44' ' ' LEU . 4.4 pp -168.8 152.72 5.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 40.5 t -123.14 117.26 51.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.51 ' HD2' HG12 ' A' ' 26' ' ' VAL . 6.7 ptt85 -119.83 177.07 5.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -77.65 117.39 19.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.769 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.827 0.346 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -131.5 165.9 22.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.8 t -138.49 110.77 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.103 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.705 HD21 HG23 ' A' ' 59' ' ' VAL . 5.7 tt -83.38 108.51 16.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.4 m -86.39 118.54 25.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.705 HG23 HD21 ' A' ' 57' ' ' LEU . 1.1 t -122.68 145.31 29.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.1 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.3 t -92.38 108.69 20.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.861 ' CD ' HG22 ' A' ' 102' ' ' THR . 19.8 tt0 -153.44 150.71 29.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 58.86 47.31 12.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 72.3 m 45.87 37.23 3.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.97 176.64 12.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.839 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.516 HG11 ' HA ' ' A' ' 32' ' ' GLN . 38.9 t -104.93 97.06 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 59' ' ' VAL . 18.6 m -69.87 148.55 48.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -124.4 91.74 3.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.645 ' CE2' HD13 ' A' ' 100' ' ' LEU . 38.8 m-85 -85.34 99.63 11.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 96.2 mt -67.52 142.92 15.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.518 HD11 ' HB2' ' A' ' 57' ' ' LEU . 4.0 mp -118.48 108.53 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -67.02 144.07 56.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.7 t -102.89 105.48 15.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.886 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.456 HD11 ' HB2' ' A' ' 79' ' ' LYS . 19.8 mt -79.58 142.84 58.09 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.628 0.728 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -1.92 9.28 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.656 2.237 . . . . 0.0 112.365 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -100.79 46.76 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? 42.18 43.49 2.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -147.93 160.5 42.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -113.47 157.3 22.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.456 ' HB2' HD11 ' A' ' 73' ' ' LEU . 28.4 tttt -138.23 105.38 5.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.405 HD11 ' HB3' ' A' ' 68' ' ' TYR . 2.3 tt -88.82 101.25 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 76.12 -103.79 1.74 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.527 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -119.62 18.05 12.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.765 0.317 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 -125.46 156.46 38.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -127.63 151.66 48.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.593 ' CD2' ' HB2' ' A' ' 91' ' ' LEU . 98.4 m-85 -141.32 167.16 22.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -64.13 -32.21 73.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 1.01 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 2.9 p80 -175.98 -174.99 0.69 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.497 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 8.7 mt -56.55 -60.11 10.2 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.623 0.725 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 54.0 Cg_endo -69.76 10.01 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.632 2.222 . . . . 0.0 112.378 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 1.01 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -110.04 -21.43 12.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.081 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.593 ' HB2' ' CD2' ' A' ' 85' ' ' PHE . 3.1 pp -89.51 -40.9 12.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.464 HD22 ' CE2' ' A' ' 43' ' ' PHE . 18.8 mt -60.77 -34.87 75.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.467 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 5.5 pt-20 -70.35 -24.63 63.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -85.92 -22.87 27.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.502 ' CE1' HD23 ' A' ' 100' ' ' LEU . 9.2 m-85 -84.31 -21.74 30.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.467 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 18.6 mtpt -53.91 -20.58 6.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.454 HG13 ' N ' ' A' ' 98' ' ' HIS . 41.0 pt -111.24 -34.08 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.454 ' N ' HG13 ' A' ' 97' ' ' ILE . 51.4 m170 -90.26 134.75 34.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.761 ' CD2' HG23 ' A' ' 104' ' ' THR . 27.3 m-85 -86.5 114.42 23.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.645 HD13 ' CE2' ' A' ' 68' ' ' TYR . 11.1 mt -49.03 -74.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -114.62 -62.88 1.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.861 HG22 ' CD ' ' A' ' 61' ' ' GLU . 2.5 t -133.21 -1.23 3.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.2 t -150.37 179.42 8.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.761 HG23 ' CD2' ' A' ' 99' ' ' TYR . 38.5 p -120.45 177.72 4.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 86.4 mt -85.87 103.88 15.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.5 mm -80.99 -71.97 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -145.71 146.1 27.95 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.621 0.724 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 133.55 25.68 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.686 2.257 . . . . 0.0 112.323 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -39.56 153.27 0.19 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.557 0.694 . . . . 0.0 111.104 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.167 0 C-N-CA 122.683 2.255 . . . . 0.0 112.353 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.754 0.312 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -128.57 108.04 10.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -171.88 172.97 4.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -105.14 87.13 2.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.501 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 36.4 m -47.85 -24.61 1.04 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.1 p -80.49 -39.05 28.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.849 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.602 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 7.8 t70 -64.05 94.94 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.593 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 5.5 mtm105 -62.72 -32.24 73.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.0 t -73.67 6.65 2.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -116.72 -25.63 7.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.144 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.602 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 52.8 p-90 -130.41 -41.42 1.22 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.48 ' HB2' ' CZ3' ' A' ' 21' ' ' TRP . 9.2 t80 -69.95 100.75 1.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.641 ' O ' ' C ' ' A' ' 24' ' ' GLY . 4.5 mmt -88.93 8.68 28.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.641 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 10.05 -84.14 0.0 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.515 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.524 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.7 Cg_endo -69.73 76.57 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 2.229 . . . . 0.0 112.369 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.485 HG12 ' CB ' ' A' ' 46' ' ' ARG . 0.3 OUTLIER -145.92 138.49 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.7 m -81.87 142.45 32.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.3 ttt85 -48.35 -52.28 22.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -52.62 -31.5 36.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 32' ' ' GLN . 5.7 tt0 -72.85 -70.63 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.463 ' HB1' HD11 ' A' ' 44' ' ' LEU . . . -36.61 -28.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.521 ' HA ' HG21 ' A' ' 65' ' ' VAL . 4.2 mt-30 -74.28 -52.44 12.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.434 HG22 ' O ' ' A' ' 30' ' ' GLU . 1.5 t -61.55 -23.77 66.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -80.15 -27.27 39.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.473 HD13 ' C ' ' A' ' 58' ' ' SER . 13.8 mt -112.78 9.43 19.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -86.89 111.81 21.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.65 -26.55 5.8 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.462 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -48.98 160.16 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.78 152.08 4.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 60.2 m170 -71.4 114.22 9.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.811 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 140.63 -27.24 2.49 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.442 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 32.4 ttm -58.52 146.98 33.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.74 0.305 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.472 ' CB ' HD22 ' A' ' 105' ' ' LEU . 3.8 p90 -156.34 171.99 19.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.868 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.493 HD13 ' HG3' ' A' ' 23' ' ' MET . 4.2 pp -174.38 145.85 1.02 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.6 t -107.62 118.77 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.719 HH12 HG11 ' A' ' 56' ' ' VAL . 1.5 ptm180 -117.48 175.7 5.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -85.99 127.45 34.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.815 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.873 0.368 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -125.53 163.87 21.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.719 HG11 HH12 ' A' ' 46' ' ' ARG . 37.7 t -130.19 118.35 43.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.147 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.847 HD11 HG23 ' A' ' 59' ' ' VAL . 2.5 tm? -92.18 101.24 13.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.473 ' C ' HD13 ' A' ' 35' ' ' LEU . 4.6 m -83.6 121.47 27.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.847 HG23 HD11 ' A' ' 57' ' ' LEU . 1.7 t -125.74 150.65 31.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.133 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.0 t -97.7 106.27 18.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.715 ' CD ' HG22 ' A' ' 102' ' ' THR . 8.1 tt0 -155.6 142.08 18.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 61.8 53.22 3.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.0 m 41.65 33.52 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -153.81 178.02 10.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.521 HG21 ' HA ' ' A' ' 32' ' ' GLN . 38.8 t -103.4 99.8 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 59' ' ' VAL . 37.4 m -70.1 88.35 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -75.2 104.32 5.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.525 ' HB3' HD11 ' A' ' 80' ' ' ILE . 64.8 m-85 -100.06 96.69 7.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.943 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 98.0 mt -57.33 146.53 6.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.599 HD11 ' HB2' ' A' ' 57' ' ' LEU . 5.4 mp -120.71 107.59 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.141 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -69.94 140.77 53.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.6 t -96.59 107.0 19.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 33.1 mt -76.79 151.26 82.26 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.583 0.706 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -16.85 37.86 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.737 2.291 . . . . 0.0 112.341 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -92.7 41.84 1.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 31.7 mtt85 45.15 44.69 8.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -135.74 163.58 29.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.428 ' CE2' ' HG ' ' A' ' 88' ' ' LEU . 60.6 m-85 -115.4 139.5 49.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.5 tttm -122.94 104.12 9.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.603 ' O ' HG23 ' A' ' 80' ' ' ILE . 11.9 tt -94.04 102.97 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.98 -108.98 2.77 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.502 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -118.08 22.38 12.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.756 0.312 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -129.66 161.02 31.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -132.16 144.2 50.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.578 ' CD2' ' HB2' ' A' ' 91' ' ' LEU . 98.4 m-85 -131.45 175.3 9.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -71.57 -31.39 66.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 1.016 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 2.9 p80 -175.93 -175.05 0.7 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.5 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 8.7 mt -56.64 -60.09 10.33 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.573 0.702 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.0 Cg_endo -69.82 9.7 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.66 2.24 . . . . 0.0 112.29 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 1.016 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -109.31 -23.02 11.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.083 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.578 ' HB2' ' CD2' ' A' ' 85' ' ' PHE . 3.2 pp -89.09 -40.83 12.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.2 mt -61.24 -35.66 77.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.416 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 6.6 pt-20 -70.71 -24.76 62.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.4 ' CD2' ' HE1' ' A' ' 85' ' ' PHE . 22.4 t80 -86.72 -15.93 37.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.416 ' CE1' HD23 ' A' ' 100' ' ' LEU . 3.5 m-85 -91.28 -23.1 20.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.416 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 7.2 mtpm? -52.14 -21.66 3.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.943 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.448 HG13 ' N ' ' A' ' 98' ' ' HIS . 48.0 pt -109.17 -33.1 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.448 ' N ' HG13 ' A' ' 97' ' ' ILE . 4.8 m-70 -88.11 139.43 30.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.787 ' HA ' HG22 ' A' ' 104' ' ' THR . 11.3 m-85 -92.95 113.95 26.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.416 HD23 ' CE1' ' A' ' 95' ' ' TYR . 5.7 mt -50.39 -69.2 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.848 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -121.55 -62.15 1.45 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.715 HG22 ' CD ' ' A' ' 61' ' ' GLU . 13.5 t -129.12 -7.34 4.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.152 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 4.1 t -148.78 179.1 8.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.787 HG22 ' HA ' ' A' ' 99' ' ' TYR . 27.1 p -122.49 -179.59 4.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.472 HD22 ' CB ' ' A' ' 43' ' ' PHE . 95.0 mt -86.25 109.42 18.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 25.8 mm -87.86 -71.1 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -146.74 147.87 31.44 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.65 0.738 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 144.8 55.18 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.673 2.249 . . . . 0.0 112.378 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.605 ' HB1' ' HD2' ' A' ' 110' ' ' PRO . . . -47.19 161.17 0.32 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.606 0.717 . . . . 0.0 111.088 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.605 ' HD2' ' HB1' ' A' ' 109' ' ' ALA . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.17 0 C-N-CA 122.674 2.249 . . . . 0.0 112.364 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.789 0.328 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -106.58 96.88 6.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -150.22 166.31 30.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -85.89 103.94 15.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.43 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 14.0 p -67.55 -32.17 72.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.5 p -76.92 -38.81 52.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.78 ' OD2' ' HB2' ' A' ' 20' ' ' ALA . 25.1 t70 -60.4 92.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.587 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 21.6 mtm180 -64.38 -36.3 83.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.4 t -67.86 -1.2 5.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.78 ' HB2' ' OD2' ' A' ' 17' ' ' ASP . . . -105.12 -27.16 11.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.069 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.587 ' CZ2' ' HG3' ' A' ' 18' ' ' ARG . 55.1 p-90 -129.26 -44.74 1.25 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.494 ' N ' ' O ' ' A' ' 18' ' ' ARG . 12.3 t80 -61.31 106.69 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.957 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.886 ' HG3' HD13 ' A' ' 44' ' ' LEU . 5.0 mmt -84.62 -4.19 58.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.508 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 29.0 -91.68 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.498 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.503 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.9 Cg_endo -69.77 78.97 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.631 2.221 . . . . 0.0 112.392 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.73 HG21 ' HB3' ' A' ' 23' ' ' MET . 25.1 t -154.35 142.08 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 65.4 m -105.84 151.71 24.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -41.94 -48.51 4.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -50.52 -48.63 57.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.73 ' O ' HG22 ' A' ' 33' ' ' THR . 13.7 tt0 -65.51 -66.65 0.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 30' ' ' GLU . . . -33.58 -37.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.083 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 36' ' ' GLN . 5.3 mt-30 -63.83 -53.46 50.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.941 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.73 HG22 ' O ' ' A' ' 30' ' ' GLU . 6.4 t -60.37 -25.79 66.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -78.61 -28.0 45.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.53 ' CD2' ' HB2' ' A' ' 109' ' ' ALA . 21.6 mt -117.66 13.96 14.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 32' ' ' GLN . 3.0 tp-100 -85.08 117.67 24.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.917 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.84 17.09 74.97 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -88.8 173.1 8.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.903 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.1 ptm85 -62.83 144.01 57.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.816 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 56.3 m170 -64.67 124.85 22.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.83 -30.38 4.64 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.489 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.5 ttm -52.72 138.37 29.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.541 ' CD2' HD22 ' A' ' 105' ' ' LEU . 3.2 p90 -143.52 169.9 16.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.886 HD13 ' HG3' ' A' ' 23' ' ' MET . 3.2 pp -168.81 143.67 3.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.484 HG22 HD23 ' A' ' 57' ' ' LEU . 26.0 t -116.05 114.85 47.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.12 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.421 ' NH1' ' O ' ' A' ' 26' ' ' VAL . 16.2 ptt85 -117.74 163.43 16.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -70.52 123.22 21.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.798 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.866 0.365 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -139.73 161.92 36.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.5 t -131.38 112.65 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.716 HD13 ' O ' ' A' ' 57' ' ' LEU . 2.5 tm? -88.99 100.41 13.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.6 m -84.66 123.76 30.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.512 HG23 HD11 ' A' ' 57' ' ' LEU . 0.9 OUTLIER -124.35 142.25 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.173 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.0 t -89.56 116.47 27.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.577 ' CG ' HG22 ' A' ' 102' ' ' THR . 17.0 tp10 -167.7 154.28 7.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 48.3 m-20 60.54 44.91 11.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.3 m 46.27 32.35 1.48 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.7 ptt-85 -151.44 -177.99 6.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 97.4 t -108.57 100.36 10.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 59' ' ' VAL . 5.0 m -69.19 141.26 54.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -123.06 95.55 4.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.616 ' HB3' HD11 ' A' ' 80' ' ' ILE . 59.4 m-85 -96.76 100.63 12.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 88.5 mt -67.31 142.55 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.133 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.669 HD11 ' HB2' ' A' ' 57' ' ' LEU . 4.7 mp -115.39 105.05 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -64.87 140.62 58.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.7 t -97.95 107.02 19.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.438 ' CB ' ' OD1' ' A' ' 75' ' ' ASN . 53.5 mt -79.41 150.51 73.75 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.618 0.723 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -13.61 34.9 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.265 . . . . 0.0 112.374 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.438 ' OD1' ' CB ' ' A' ' 73' ' ' LEU . 4.1 p30 -94.02 40.97 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? 45.27 38.85 3.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -132.21 150.95 52.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.472 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 57.8 m-85 -105.66 138.98 40.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.413 ' HB2' HD11 ' A' ' 73' ' ' LEU . 31.8 tttt -123.91 104.9 9.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.616 HD11 ' HB3' ' A' ' 68' ' ' TYR . 7.7 tt -97.57 104.08 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.21 -109.72 2.86 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -117.06 27.74 8.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.764 0.316 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -134.09 162.3 32.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -138.62 139.7 38.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.653 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 93.2 m-85 -129.05 174.36 9.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -69.51 -36.39 76.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.857 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 2.6 p80 -170.7 -175.02 1.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.489 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 8.7 mt -56.05 -60.46 8.79 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.604 0.716 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.5 Cg_endo -69.76 15.23 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.722 2.282 . . . . 0.0 112.332 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.857 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -114.15 -24.22 9.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.653 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.6 pp -87.76 -41.83 13.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.424 ' N ' HD12 ' A' ' 91' ' ' LEU . 24.2 mt -56.9 -35.84 69.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -72.63 -33.15 66.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -75.92 -23.78 55.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -80.22 -18.86 48.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -53.13 -21.33 4.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.461 HG13 ' N ' ' A' ' 98' ' ' HIS . 46.2 pt -111.72 -33.81 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.131 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.461 ' N ' HG13 ' A' ' 97' ' ' ILE . 50.3 m170 -90.98 128.92 37.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.653 ' CD2' HG23 ' A' ' 104' ' ' THR . 21.9 m-85 -85.05 113.78 21.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.457 HD22 ' CE2' ' A' ' 68' ' ' TYR . 3.1 mp -44.49 -62.63 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -127.67 -64.78 0.96 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.577 HG22 ' CG ' ' A' ' 61' ' ' GLU . 13.6 t -130.8 -5.39 4.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.449 ' CG2' ' OE1' ' A' ' 61' ' ' GLU . 6.0 t -147.24 170.71 16.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.653 HG23 ' CD2' ' A' ' 99' ' ' TYR . 3.1 p -112.8 178.15 4.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.161 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.541 HD22 ' CD2' ' A' ' 43' ' ' PHE . 83.2 mt -81.76 123.2 28.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 31.6 mm -100.64 -65.92 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -155.66 150.65 20.75 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.678 0.751 . . . . 0.0 110.827 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 139.47 40.39 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.673 2.249 . . . . 0.0 112.36 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.645 ' HB1' ' HD2' ' A' ' 110' ' ' PRO . . . -56.06 162.73 2.68 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.607 0.718 . . . . 0.0 111.076 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.645 ' HD2' ' HB1' ' A' ' 109' ' ' ALA . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.195 0 C-N-CA 122.679 2.252 . . . . 0.0 112.355 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.459 ' HB1' ' HG2' ' A' ' 96' ' ' LYS . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.821 0.343 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.2 tpp180 -102.4 94.27 5.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.589 ' CE1' ' HE2' ' A' ' 96' ' ' LYS . 26.3 p90 -153.22 164.76 37.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -93.43 93.46 8.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.417 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 4.9 m -59.05 -18.36 34.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.4 m -84.3 -38.91 19.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.824 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.65 ' OD2' ' HB2' ' A' ' 20' ' ' ALA . 44.3 t0 -62.6 91.83 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.582 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 12.1 mtp180 -61.42 -35.63 78.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 t -71.67 5.08 2.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.65 ' HB2' ' OD2' ' A' ' 17' ' ' ASP . . . -115.48 -25.59 7.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.601 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 61.5 p-90 -130.16 -42.15 1.23 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.938 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.565 ' HB2' ' CZ3' ' A' ' 21' ' ' TRP . 22.5 t80 -69.0 104.42 2.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.794 ' HG3' HD13 ' A' ' 44' ' ' LEU . 4.7 mmt -86.37 -6.4 58.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.524 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 27.54 -90.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.422 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.531 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.6 Cg_endo -69.84 79.22 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.311 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.75 HG21 ' HB3' ' A' ' 23' ' ' MET . 9.7 t -150.77 125.54 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.1 t -75.98 151.88 37.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.4 ttt85 -52.36 -49.29 64.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -55.05 -32.66 62.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 32' ' ' GLN . 13.4 tt0 -75.49 -69.15 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.535 ' HB1' HD21 ' A' ' 44' ' ' LEU . . . -37.08 -30.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 30' ' ' GLU . 4.9 mt-30 -69.57 -50.38 45.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 30' ' ' GLU . 1.0 OUTLIER -64.79 -21.09 66.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -77.39 -29.24 53.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.826 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.406 ' CD2' ' HG2' ' A' ' 42' ' ' MET . 12.4 mt -116.1 5.18 13.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -80.79 113.81 19.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.82 -27.73 7.81 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -52.82 164.63 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.857 0.36 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.41 151.53 23.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -67.09 125.47 26.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 131.35 -40.55 1.62 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.47 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.406 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 29.0 ttm -45.43 146.92 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.818 0.342 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.458 ' HB2' HG12 ' A' ' 59' ' ' VAL . 10.5 p90 -150.21 173.92 13.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.794 HD13 ' HG3' ' A' ' 23' ' ' MET . 1.2 pp -173.88 146.06 1.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.5 t -118.67 113.12 40.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.5 ptt85 -117.38 176.15 5.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -79.8 127.74 32.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.463 ' CB ' ' HB3' ' A' ' 54' ' ' ASP . 46.1 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.797 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.463 ' HB3' ' CB ' ' A' ' 48' ' ' SER . 1.6 t70 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.867 0.365 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -135.06 162.59 32.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.453 ' CG1' ' HB3' ' A' ' 67' ' ' HIS . 96.5 t -139.86 106.67 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.7 tp -76.37 104.31 6.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.445 ' HB3' ' CG1' ' A' ' 65' ' ' VAL . 51.0 m -94.77 127.04 40.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.617 HG22 ' HB2' ' A' ' 66' ' ' SER . 1.6 m -130.2 155.83 41.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.155 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.3 t -93.88 116.72 29.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.517 ' CG ' ' CG2' ' A' ' 102' ' ' THR . 7.9 tp10 -168.47 145.5 3.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 63.28 32.07 15.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.8 t 60.55 27.48 17.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.37 -179.07 6.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.445 ' CG1' ' HB3' ' A' ' 58' ' ' SER . 48.7 t -113.9 104.21 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.108 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.617 ' HB2' HG22 ' A' ' 59' ' ' VAL . 38.9 m -73.95 110.98 8.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.453 ' HB3' ' CG1' ' A' ' 56' ' ' VAL . 94.7 m-70 -92.08 97.99 11.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.673 ' O ' HD12 ' A' ' 70' ' ' ILE . 61.4 m-85 -91.47 100.16 12.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 67.6 mt -63.57 129.85 27.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.126 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.673 HD12 ' O ' ' A' ' 68' ' ' TYR . 3.9 mp -107.32 109.66 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 79' ' ' LYS . 30.4 m120 -76.61 129.28 36.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.7 t -90.69 106.15 18.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 77' ' ' ARG . 21.0 mt -73.15 144.84 85.2 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.573 0.701 . . . . 0.0 110.936 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -2.13 9.64 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.718 2.278 . . . . 0.0 112.32 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.531 ' ND2' ' HD3' ' A' ' 77' ' ' ARG . 2.0 p-10 -98.1 44.24 1.04 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.401 ' HD2' ' C ' ' A' ' 75' ' ' ASN . 1.3 mpt_? 49.77 31.39 4.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.531 ' HD3' ' ND2' ' A' ' 75' ' ' ASN . 6.8 mpt_? -144.1 163.22 34.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -111.48 -178.23 3.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 71' ' ' ASN . 13.0 tttp -158.83 105.23 1.78 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.478 HD13 ' HE2' ' A' ' 95' ' ' TYR . 1.9 tt -87.99 100.62 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.179 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.34 -99.94 0.93 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.497 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -121.65 24.83 9.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.757 0.313 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -129.33 157.61 41.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -129.48 151.97 49.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.59 ' CD2' ' HB3' ' A' ' 91' ' ' LEU . 97.9 m-85 -147.31 163.02 37.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.65 -33.62 68.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.587 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 2.1 p80 -176.04 -174.98 0.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.521 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 9.3 mt -55.28 -58.99 12.27 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 54.5 Cg_endo -69.71 21.65 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.674 2.25 . . . . 0.0 112.382 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.587 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -119.67 -33.88 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.59 ' HB3' ' CD2' ' A' ' 85' ' ' PHE . 3.9 pp -77.65 -43.11 32.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.501 ' N ' HD12 ' A' ' 91' ' ' LEU . 13.7 mt -58.59 -44.81 89.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -62.05 -34.76 76.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.583 ' CE2' ' CD2' ' A' ' 98' ' ' HIS . 42.2 t80 -73.55 -28.06 61.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.633 ' CE1' HD23 ' A' ' 100' ' ' LEU . 3.2 m-85 -76.51 -14.76 60.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.589 ' HE2' ' CE1' ' A' ' 13' ' ' PHE . 69.3 mttt -54.55 -20.28 7.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.463 HG13 ' N ' ' A' ' 98' ' ' HIS . 43.4 pt -114.99 -34.0 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.181 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.583 ' CD2' ' CE2' ' A' ' 94' ' ' PHE . 3.9 m-70 -87.0 128.34 35.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.728 ' CD2' HG23 ' A' ' 104' ' ' THR . 23.0 m-85 -84.09 113.43 21.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.633 HD23 ' CE1' ' A' ' 95' ' ' TYR . 10.4 mt -47.15 -68.45 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -120.78 -66.56 1.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.517 ' CG2' ' CG ' ' A' ' 61' ' ' GLU . 14.1 t -129.02 -7.05 4.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.1 t -145.3 170.73 15.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.197 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.728 HG23 ' CD2' ' A' ' 99' ' ' TYR . 7.7 p -111.01 -177.23 3.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.182 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 99.5 mt -90.27 118.26 29.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 28.8 mm -96.47 -68.2 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -152.74 147.79 19.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.611 0.719 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 137.23 34.99 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.654 2.236 . . . . 0.0 112.35 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.4 ' HB2' ' CD2' ' A' ' 35' ' ' LEU . . . -45.95 151.43 0.88 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.591 0.71 . . . . 0.0 111.101 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.169 0 C-N-CA 122.719 2.279 . . . . 0.0 112.353 -179.983 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.804 0.335 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -108.55 92.0 3.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.511 ' CD1' ' O ' ' A' ' 106' ' ' ILE . 53.1 p90 -149.44 168.39 23.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -87.6 128.44 35.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.501 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 18.6 p -94.42 -24.48 17.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.81 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.7 p -81.63 -39.18 24.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.701 ' OD2' ' HB2' ' A' ' 20' ' ' ALA . 32.9 t0 -60.42 91.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.573 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 19.3 mtt180 -59.55 -32.81 70.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.8 t -73.28 3.95 5.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.701 ' HB2' ' OD2' ' A' ' 17' ' ' ASP . . . -113.27 -27.2 8.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.092 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.578 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 46.2 p-90 -128.12 -42.27 1.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.575 ' HB2' ' CZ3' ' A' ' 21' ' ' TRP . 37.4 t80 -75.35 104.76 6.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.637 ' O ' ' C ' ' A' ' 24' ' ' GLY . 3.0 mmt -90.25 12.49 17.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.895 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.637 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 10.91 -83.07 0.0 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.478 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.557 ' N ' ' O ' ' A' ' 23' ' ' MET . 54.4 Cg_endo -69.7 77.11 1.07 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.691 2.261 . . . . 0.0 112.374 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.624 HG21 ' HB3' ' A' ' 23' ' ' MET . 2.5 t -146.56 144.46 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 46.5 m -90.61 152.04 21.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -56.18 -47.93 77.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' A' ' 30' ' ' GLU . 8.2 pt20 -60.85 -32.38 71.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.82 ' O ' HG22 ' A' ' 33' ' ' THR . 11.9 tt0 -69.64 -70.22 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.696 ' HB2' ' HD2' ' A' ' 46' ' ' ARG . . . -35.62 -31.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.069 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.537 ' HA ' HG21 ' A' ' 65' ' ' VAL . 6.8 mt-30 -69.26 -48.23 62.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.82 HG22 ' O ' ' A' ' 30' ' ' GLU . 12.8 t -61.08 -25.46 66.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.443 ' NH1' ' O ' ' A' ' 110' ' ' PRO . 2.0 mtp-105 -80.94 -33.42 34.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.434 HD11 ' HG ' ' A' ' 44' ' ' LEU . 19.1 mt -107.96 8.54 28.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 32' ' ' GLN . 2.8 tp-100 -87.37 112.63 22.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.36 -8.26 58.83 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.519 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -67.05 164.14 18.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.823 0.344 . . . . 0.0 110.933 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -56.83 138.06 53.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -57.19 122.4 12.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 132.97 -45.17 1.14 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 35.0 ttm -38.43 152.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -157.75 170.24 22.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.709 HD12 ' C ' ' A' ' 44' ' ' LEU . 2.6 pp -174.59 147.38 1.08 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.42 HG22 HD23 ' A' ' 57' ' ' LEU . 14.4 t -112.39 105.8 19.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.749 ' NH1' HG11 ' A' ' 56' ' ' VAL . 0.4 OUTLIER -105.2 174.39 5.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -68.47 131.12 44.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.454 ' HB3' ' C ' ' A' ' 54' ' ' ASP . 4.9 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.454 ' C ' ' HB3' ' A' ' 48' ' ' SER . 15.0 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.841 0.353 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -145.06 177.86 8.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.749 HG11 ' NH1' ' A' ' 46' ' ' ARG . 19.7 t -146.09 117.1 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.155 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.761 HD13 ' O ' ' A' ' 57' ' ' LEU . 2.2 tm? -99.24 100.88 12.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.405 ' HB3' ' CG1' ' A' ' 65' ' ' VAL . 20.1 m -92.91 146.81 23.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.569 HG22 ' HB2' ' A' ' 66' ' ' SER . 1.8 m -142.6 164.58 17.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.9 t -99.5 112.9 25.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.458 ' CG ' HG22 ' A' ' 102' ' ' THR . 5.2 tp10 -169.72 158.96 7.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 51.12 51.91 16.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.8 t 40.01 30.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.2 ptt85 -157.25 -176.53 6.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.537 HG21 ' HA ' ' A' ' 32' ' ' GLN . 16.6 t -109.86 112.33 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.569 ' HB2' HG22 ' A' ' 59' ' ' VAL . 5.8 m -82.4 94.18 7.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -78.43 103.3 8.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.439 ' CE2' HD13 ' A' ' 100' ' ' LEU . 50.6 m-85 -97.77 91.37 5.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.953 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.739 HD13 HG22 ' A' ' 56' ' ' VAL . 2.3 mm -46.76 160.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.143 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.54 HD11 ' CB ' ' A' ' 57' ' ' LEU . 4.9 mp -134.18 93.77 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -69.6 135.13 49.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.3 t -88.5 123.01 32.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 34.4 mt -89.86 151.05 44.93 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.618 0.723 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 2.0 3.91 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -111.01 46.03 1.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 42.02 44.05 2.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -140.72 164.84 29.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.68 ' CE2' ' CD2' ' A' ' 88' ' ' LEU . 43.5 m-85 -114.61 156.35 24.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -131.1 103.37 6.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.53 ' O ' HG23 ' A' ' 80' ' ' ILE . 8.4 tt -92.89 99.19 9.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.46 -104.4 1.67 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.523 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.33 4.99 14.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.735 0.303 . . . . 0.0 110.854 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -116.42 163.27 16.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -136.54 157.54 46.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.609 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 97.7 m-85 -143.77 -175.13 4.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -84.27 -28.17 27.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 1.011 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 3.0 p80 -175.75 -175.01 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.845 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.68 ' CD2' ' CE2' ' A' ' 78' ' ' PHE . 2.8 mm? -57.18 -60.06 10.83 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.566 0.698 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 54.2 Cg_endo -69.74 8.58 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.624 2.216 . . . . 0.0 112.369 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 1.011 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -106.5 -20.51 13.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.609 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.0 pp -99.69 -39.39 8.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.1 mt -62.3 -35.93 80.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.48 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 7.0 pt-20 -74.65 -25.73 59.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.428 ' CE2' ' CD2' ' A' ' 98' ' ' HIS . 32.2 t80 -83.48 -19.58 35.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -89.88 -22.11 22.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.48 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 24.0 mtpt -50.94 -19.01 0.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.443 HG13 ' N ' ' A' ' 98' ' ' HIS . 46.9 pt -114.53 -33.97 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.443 ' N ' HG13 ' A' ' 97' ' ' ILE . 3.5 m-70 -83.49 146.44 28.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.733 ' HA ' HG22 ' A' ' 104' ' ' THR . 19.7 m-85 -100.2 114.47 27.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.439 HD13 ' CE2' ' A' ' 68' ' ' TYR . 6.0 mt -55.43 -68.39 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -118.82 -66.86 1.03 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.458 HG22 ' CG ' ' A' ' 61' ' ' GLU . 5.8 t -128.66 -5.3 5.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 t -150.76 175.07 12.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.733 HG22 ' HA ' ' A' ' 99' ' ' TYR . 11.4 p -119.69 -178.05 3.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 48.8 mt -88.12 118.08 27.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.511 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 30.1 mm -93.85 -65.36 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -150.55 145.13 18.07 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.673 0.749 . . . . 0.0 110.849 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.481 ' HD3' ' CD2' ' A' ' 13' ' ' PHE . 53.0 Cg_endo -69.76 136.35 32.77 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.712 2.275 . . . . 0.0 112.311 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -52.4 149.01 11.01 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.594 0.712 . . . . 0.0 111.092 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.443 ' O ' ' NH1' ' A' ' 34' ' ' ARG . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.14 0 C-N-CA 122.705 2.27 . . . . 0.0 112.35 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.83 0.347 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -110.44 99.32 8.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -171.11 156.92 4.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -95.21 100.65 12.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.0 m -61.73 -9.99 7.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.5 p -90.24 -27.36 19.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.7 ' OD2' ' HB2' ' A' ' 20' ' ' ALA . 25.1 t0 -75.47 92.62 2.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.573 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 19.5 mtp180 -60.17 -32.26 70.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -74.95 9.02 2.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.7 ' HB2' ' OD2' ' A' ' 17' ' ' ASP . . . -121.03 -26.01 5.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.128 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.582 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 61.8 p-90 -129.32 -40.07 1.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.481 ' HB2' ' CZ3' ' A' ' 21' ' ' TRP . 10.3 t80 -73.78 98.92 3.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.949 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.673 ' O ' ' C ' ' A' ' 24' ' ' GLY . 3.5 mmt -94.71 19.86 9.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.673 ' C ' ' O ' ' A' ' 23' ' ' MET . . . -4.22 -71.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.471 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.515 ' N ' ' O ' ' A' ' 23' ' ' MET . 54.0 Cg_endo -69.74 73.35 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.723 2.282 . . . . 0.0 112.346 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.536 ' CG1' ' N ' ' A' ' 27' ' ' SER . 2.8 t -141.67 158.49 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.536 ' N ' ' CG1' ' A' ' 26' ' ' VAL . 69.2 m -111.32 132.81 54.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 27' ' ' SER . 4.1 tpt180 -35.25 -56.8 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -47.14 -41.63 18.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.563 ' O ' HG22 ' A' ' 33' ' ' THR . 9.8 tt0 -65.93 -67.0 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.47 ' CB ' ' HD3' ' A' ' 46' ' ' ARG . . . -35.21 -31.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.089 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' A' ' 30' ' ' GLU . 3.0 mt-30 -72.94 -55.25 6.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 30' ' ' GLU . 5.2 t -58.53 -24.97 61.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.0 mtp180 -78.48 -27.64 46.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.432 ' CD2' ' HG2' ' A' ' 42' ' ' MET . 12.7 mt -116.3 9.66 14.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 32' ' ' GLN . 2.8 tp-100 -83.09 114.61 21.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.97 15.08 62.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.464 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -85.49 161.4 19.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.776 0.322 . . . . 0.0 110.949 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -46.94 132.6 11.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -55.68 125.26 20.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.38 -38.73 2.22 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.48 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.432 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 28.2 ttm -39.47 141.27 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.797 0.332 . . . . 0.0 110.861 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 108' ' ' PRO . 2.4 p90 -148.17 169.65 19.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.63 HD12 ' C ' ' A' ' 44' ' ' LEU . 2.3 pp -175.0 148.59 1.03 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.583 HG22 HD23 ' A' ' 57' ' ' LEU . 47.1 t -116.75 114.38 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.47 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -115.83 169.55 9.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -85.34 115.63 23.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.742 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.857 0.36 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -122.39 164.49 17.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.3 t -138.77 105.57 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.085 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.76 HD13 ' C ' ' A' ' 57' ' ' LEU . 2.3 tm? -83.21 107.53 15.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.8 m -97.26 145.69 25.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.65 ' CG1' HD11 ' A' ' 57' ' ' LEU . 1.1 m -149.12 151.03 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.123 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.4 t -88.71 104.03 16.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.618 ' CG ' HG22 ' A' ' 102' ' ' THR . 7.5 tt0 -150.73 147.17 27.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.867 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.457 ' N ' ' HG2' ' A' ' 61' ' ' GLU . 18.2 m-80 57.77 53.14 7.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.3 m 43.55 29.67 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -151.14 -179.62 7.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 88.6 t -111.13 95.82 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.553 ' HB3' HG22 ' A' ' 59' ' ' VAL . 1.0 OUTLIER -62.63 117.84 6.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.84 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -98.43 93.96 6.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.442 ' O ' HD12 ' A' ' 70' ' ' ILE . 58.9 m-85 -89.6 99.33 12.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 78.5 mt -72.06 129.91 35.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.442 HD12 ' O ' ' A' ' 68' ' ' TYR . 3.4 mp -101.61 104.34 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -68.39 134.26 49.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.3 t -86.78 114.09 23.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.526 HD11 ' HG2' ' A' ' 84' ' ' GLU . 47.6 mt -83.22 151.36 62.82 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.609 0.719 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -23.02 31.22 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.37 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -87.79 50.0 1.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 37.61 51.89 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.812 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -147.28 159.19 43.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.594 ' CE2' ' CD2' ' A' ' 88' ' ' LEU . 37.0 m-85 -108.06 158.83 17.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.5 tttt -140.14 105.08 4.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.571 ' O ' HG23 ' A' ' 80' ' ' ILE . 11.5 tt -94.9 106.44 18.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.5 -106.71 2.05 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.47 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -118.35 24.02 11.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.78 0.324 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 -134.22 162.33 32.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.526 ' HG2' HD11 ' A' ' 73' ' ' LEU . 46.8 mt-10 -131.6 150.06 52.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.634 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 97.2 m-85 -137.22 175.74 9.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -76.26 -32.83 59.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.788 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 2.2 p80 -175.98 -174.95 0.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.594 ' CD2' ' CE2' ' A' ' 78' ' ' PHE . 3.3 mm? -53.96 -60.78 6.51 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.612 0.72 . . . . 0.0 110.955 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.8 Cg_endo -69.76 13.31 0.29 Allowed 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.739 2.293 . . . . 0.0 112.376 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.788 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -111.9 -26.72 8.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.634 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.4 pp -91.52 -40.57 11.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 31.0 mt -58.67 -46.66 86.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -62.65 -29.68 70.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -77.7 -22.7 50.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.433 ' HE2' HG21 ' A' ' 80' ' ' ILE . 10.9 m-85 -93.85 -11.72 30.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.948 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -61.14 -13.85 20.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.485 HG12 ' N ' ' A' ' 98' ' ' HIS . 0.1 OUTLIER -120.02 -29.77 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.485 ' N ' HG12 ' A' ' 97' ' ' ILE . 8.0 m-70 -91.35 143.78 26.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.594 ' HA ' HG22 ' A' ' 104' ' ' THR . 2.3 m-85 -94.08 113.61 25.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.954 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.0 mt -49.28 -67.82 0.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -119.79 -64.25 1.28 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.618 HG22 ' CG ' ' A' ' 61' ' ' GLU . 5.3 t -129.98 -5.58 4.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.176 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.3 t -147.87 -179.13 6.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.594 HG22 ' HA ' ' A' ' 99' ' ' TYR . 35.6 p -121.46 -177.8 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 91.3 mt -86.78 103.71 15.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 15.5 mm -77.66 -68.72 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -155.02 152.38 25.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.654 0.74 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' A' ' 43' ' ' PHE . 53.8 Cg_endo -69.73 129.65 18.0 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.693 2.262 . . . . 0.0 112.322 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -39.9 151.16 0.24 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.582 0.706 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 0.0 112.342 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.805 0.336 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -129.31 98.96 5.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -175.05 176.38 2.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -110.82 100.7 9.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.495 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 55.2 m -57.62 -26.32 61.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.4 p -73.7 -42.37 61.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.534 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 9.9 t0 -65.07 101.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.588 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 5.5 mtt85 -67.72 -36.3 80.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 t -65.77 -3.82 5.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -101.42 -31.34 10.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.588 ' CZ2' ' HG3' ' A' ' 18' ' ' ARG . 57.6 p-90 -124.52 -45.22 1.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.509 ' N ' ' O ' ' A' ' 18' ' ' ARG . 8.3 t80 -58.85 108.19 0.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.902 ' HG3' HD13 ' A' ' 44' ' ' LEU . 6.5 mmt -88.91 -2.77 58.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.834 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.503 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 29.52 -91.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.477 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.504 ' N ' ' O ' ' A' ' 23' ' ' MET . 54.3 Cg_endo -69.71 79.02 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.721 2.281 . . . . 0.0 112.359 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.711 HG21 ' HB3' ' A' ' 23' ' ' MET . 42.3 t -157.5 150.94 8.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.7 m -119.19 169.97 9.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.553 ' HG3' ' CE1' ' A' ' 67' ' ' HIS . 20.6 ttt180 -56.54 -49.39 74.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -46.38 -47.93 18.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.801 ' O ' HG22 ' A' ' 33' ' ' THR . 12.0 tt0 -73.34 -63.81 1.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.425 ' HB2' ' HD3' ' A' ' 46' ' ' ARG . . . -37.72 -37.08 0.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.757 ' HA ' HG21 ' A' ' 65' ' ' VAL . 8.7 mt-30 -64.91 -51.88 59.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.801 HG22 ' O ' ' A' ' 30' ' ' GLU . 6.1 t -59.89 -23.43 63.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.186 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 -82.2 -32.53 29.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 29.2 mt -108.22 5.86 26.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.501 ' N ' ' O ' ' A' ' 32' ' ' GLN . 2.9 tp-100 -83.78 113.68 21.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.6 -29.92 5.15 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.481 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -48.85 162.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 110.949 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.457 ' HB3' ' NH1' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -59.63 160.15 7.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.902 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 41.7 m170 -75.97 120.35 21.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.16 -33.02 2.43 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.55 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 26.0 ttm -53.26 145.53 13.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.808 0.337 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.437 ' HB2' HG12 ' A' ' 59' ' ' VAL . 11.0 p90 -149.91 169.74 20.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.902 HD13 ' HG3' ' A' ' 23' ' ' MET . 1.3 pp -173.12 138.75 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.962 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 43.4 t -112.29 121.22 64.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.438 ' CD ' HG12 ' A' ' 26' ' ' VAL . 14.2 ptt85 -127.51 164.04 22.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -72.13 123.87 23.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.1 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.798 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.858 0.361 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -131.97 171.5 13.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.2 t -144.14 111.14 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.119 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 tp -85.28 104.06 14.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.97 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.0 m -93.11 130.11 38.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.668 HG22 ' HB2' ' A' ' 66' ' ' SER . 1.2 m -136.01 159.57 39.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.3 t -93.58 99.31 11.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.453 ' CG ' HG22 ' A' ' 102' ' ' THR . 0.3 OUTLIER -140.94 143.14 34.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.887 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.7 m120 54.42 46.14 25.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.9 m 49.17 34.26 5.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.36 168.91 24.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.757 HG21 ' HA ' ' A' ' 32' ' ' GLN . 16.9 t -98.5 108.42 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.668 ' HB2' HG22 ' A' ' 59' ' ' VAL . 38.0 m -82.0 105.71 13.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.553 ' CE1' ' HG3' ' A' ' 28' ' ' ARG . 79.3 m-70 -87.12 93.8 9.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.48 ' O ' HD12 ' A' ' 70' ' ' ILE . 44.4 m-85 -86.2 102.42 13.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 81.6 mt -62.88 142.17 17.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.153 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.48 HD12 ' O ' ' A' ' 68' ' ' TYR . 5.2 mp -121.17 104.17 14.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -64.95 140.98 58.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 43.6 t -96.72 109.35 22.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 34.8 mt -80.74 148.58 65.63 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.624 0.726 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -22.26 32.39 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.66 2.24 . . . . 0.0 112.368 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -85.14 36.41 0.63 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.1 mtm180 50.06 47.93 22.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 76.0 mtt180 -141.92 156.36 45.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.475 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 81.2 m-85 -111.01 139.21 46.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.0 tttp -121.16 105.14 10.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.9 tt -91.97 103.98 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.64 -107.43 2.2 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.547 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -117.09 24.91 10.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.329 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -132.43 158.22 42.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -131.12 149.5 52.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.541 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 98.5 m-85 -138.64 172.94 12.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -69.54 -31.76 70.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 1.019 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 3.3 p80 -174.75 -175.01 0.86 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.504 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 8.7 mt -57.73 -59.73 12.13 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.711 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.7 Cg_endo -69.78 11.01 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.653 2.236 . . . . 0.0 112.335 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 1.019 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -109.56 -23.37 11.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.541 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.4 pp -89.08 -41.79 12.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.444 ' N ' HD12 ' A' ' 91' ' ' LEU . 16.3 mt -58.81 -36.64 74.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.453 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 6.1 pt-20 -71.59 -24.45 61.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.401 ' CD2' ' HE1' ' A' ' 85' ' ' PHE . 22.1 t80 -87.52 -15.27 38.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.435 ' CE1' HD23 ' A' ' 100' ' ' LEU . 3.1 m-85 -91.36 -22.77 20.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.968 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.453 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 6.8 mtpm? -51.51 -20.23 1.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.905 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.434 HG13 ' N ' ' A' ' 98' ' ' HIS . 46.1 pt -111.3 -32.2 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.434 ' N ' HG13 ' A' ' 97' ' ' ILE . 3.3 m-70 -88.76 136.95 32.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.576 ' CD2' HG23 ' A' ' 104' ' ' THR . 12.6 m-85 -89.46 113.75 25.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.958 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.491 HD11 HD21 ' A' ' 105' ' ' LEU . 5.6 mt -54.06 -68.34 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -119.34 -66.23 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.453 HG22 ' CG ' ' A' ' 61' ' ' GLU . 8.1 t -131.77 -3.62 3.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.147 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 5.2 t -149.97 169.43 21.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.576 HG23 ' CD2' ' A' ' 99' ' ' TYR . 66.4 p -109.93 -179.92 3.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.113 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.491 HD21 HD11 ' A' ' 100' ' ' LEU . 74.4 mt -88.96 109.7 20.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 31.2 mm -87.04 -71.6 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -147.94 150.44 35.72 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 0.0 110.957 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 147.62 63.8 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.684 2.256 . . . . 0.0 112.358 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.468 ' HB1' ' HD2' ' A' ' 110' ' ' PRO . . . -61.79 157.36 49.94 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.542 0.687 . . . . 0.0 111.119 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.468 ' HD2' ' HB1' ' A' ' 109' ' ' ALA . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.172 0 C-N-CA 122.656 2.237 . . . . 0.0 112.343 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.838 0.352 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -129.37 101.63 6.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 31.6 p90 -166.96 168.19 14.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -99.53 106.22 18.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.484 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 45.6 p -64.06 -34.71 78.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 93.6 p -72.33 -36.34 68.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.692 ' OD2' ' HB2' ' A' ' 20' ' ' ALA . 25.1 t70 -68.79 97.22 0.8 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.593 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 13.0 mtm180 -66.69 -37.84 85.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.3 t -65.47 -3.9 5.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.692 ' HB2' ' OD2' ' A' ' 17' ' ' ASP . . . -101.38 -27.89 12.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.071 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.593 ' CZ2' ' HG3' ' A' ' 18' ' ' ARG . 52.8 p-90 -128.95 -46.05 1.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.954 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.519 ' N ' ' O ' ' A' ' 18' ' ' ARG . 10.0 t80 -54.28 111.62 0.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.683 ' HB3' HG21 ' A' ' 26' ' ' VAL . 7.1 mmt -91.52 -10.01 42.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.815 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.504 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 29.37 -92.03 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.508 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.5 Cg_endo -69.8 79.21 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.646 2.231 . . . . 0.0 112.317 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.683 HG21 ' HB3' ' A' ' 23' ' ' MET . 16.7 t -152.57 141.02 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.159 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 38.7 m -101.62 151.26 22.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.542 ' CZ ' ' CG ' ' A' ' 67' ' ' HIS . 5.4 tpt180 -44.21 -59.25 2.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.881 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -42.71 -43.27 3.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.704 ' O ' HG22 ' A' ' 33' ' ' THR . 10.7 tt0 -72.65 -65.62 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.85 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.491 ' CB ' ' HD3' ' A' ' 46' ' ' ARG . . . -34.47 -40.86 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.113 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.488 ' O ' ' N ' ' A' ' 36' ' ' GLN . 6.2 mt-30 -66.27 -55.29 16.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.704 HG22 ' O ' ' A' ' 30' ' ' GLU . 1.5 t -50.78 -21.73 1.79 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 -84.01 -31.86 25.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.451 ' CD2' ' HG2' ' A' ' 42' ' ' MET . 5.8 mt -114.32 14.23 17.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 32' ' ' GLN . 2.9 tp-100 -89.58 105.63 17.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.44 -16.21 60.48 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -60.61 169.78 1.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.798 0.332 . . . . 0.0 110.909 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.1 ptp85 -68.84 131.85 45.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -46.63 133.69 10.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.34 -42.8 1.46 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.526 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.451 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 25.4 ttm -45.58 140.21 3.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.77 0.319 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.569 ' HB2' HG12 ' A' ' 59' ' ' VAL . 5.7 p90 -144.67 171.14 14.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.693 HD12 ' C ' ' A' ' 44' ' ' LEU . 2.9 pp -175.22 148.67 0.99 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 42.4 t -117.37 111.32 34.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.151 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.491 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -115.58 168.41 10.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -63.79 131.31 47.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.828 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.553 ' HA ' HG23 ' A' ' 56' ' ' VAL . 4.6 t . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.834 0.35 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -130.24 168.45 16.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.553 HG23 ' HA ' ' A' ' 48' ' ' SER . 67.2 t -139.95 109.97 3.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.089 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.484 ' HB3' HD11 ' A' ' 70' ' ' ILE . 3.2 tp -86.57 104.78 16.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.6 m -90.84 132.15 36.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.569 HG12 ' HB2' ' A' ' 43' ' ' PHE . 1.6 m -139.93 155.13 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.102 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.1 t -89.92 115.52 27.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.593 ' CG ' HG22 ' A' ' 102' ' ' THR . 3.0 tm-20 -158.35 139.09 12.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 m120 61.8 50.14 4.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.5 m 45.12 30.86 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -149.03 178.86 8.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.476 HG21 ' HA ' ' A' ' 32' ' ' GLN . 25.4 t -108.45 102.95 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.5 m -77.07 104.24 7.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.542 ' CG ' ' CZ ' ' A' ' 28' ' ' ARG . 62.1 m-70 -90.22 89.38 7.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.836 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -82.0 124.5 29.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 77.3 mt -85.07 140.38 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.135 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.484 HD11 ' HB3' ' A' ' 57' ' ' LEU . 5.2 mp -118.5 105.3 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -69.65 134.71 49.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.1 t -93.96 99.09 11.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.815 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 19.7 mt -68.78 141.94 93.15 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.635 0.731 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -3.04 11.21 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.646 2.231 . . . . 0.0 112.351 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -97.59 40.72 1.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.47 ' CZ ' ' HA ' ' A' ' 76' ' ' ARG . 3.0 mmp_? 49.07 41.0 18.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -148.49 158.18 43.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.506 ' CD1' ' HA ' ' A' ' 87' ' ' HIS . 1.8 m-85 -108.35 162.83 13.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 34.9 tttt -141.52 105.15 4.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.6 tt -98.42 103.22 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.17 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.49 -106.41 2.11 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.464 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -119.73 22.2 11.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.79 0.329 . . . . 0.0 110.84 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -128.69 166.84 18.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -140.95 145.33 35.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.607 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 99.0 m-85 -134.47 -178.99 5.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -75.83 -32.75 59.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 1.02 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 3.2 p80 -172.46 -174.97 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.5 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 8.7 mt -57.62 -60.1 10.93 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.589 0.709 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.9 Cg_endo -69.7 11.86 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.69 2.26 . . . . 0.0 112.39 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 1.02 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -111.38 -21.85 11.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.607 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.3 pp -89.97 -41.09 11.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.0 mt -61.22 -38.45 86.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.406 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 6.7 pt-20 -67.44 -27.71 67.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -82.63 -21.38 35.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.612 ' CE1' HD23 ' A' ' 100' ' ' LEU . 8.7 m-85 -84.82 -22.3 29.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.952 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.406 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 6.7 mtpm? -49.93 -19.17 0.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 49.8 pt -115.73 -32.1 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -88.43 130.41 35.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.742 ' HA ' HG22 ' A' ' 104' ' ' THR . 9.7 m-85 -86.47 114.3 23.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.874 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.612 HD23 ' CE1' ' A' ' 95' ' ' TYR . 5.7 mt -53.0 -68.08 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -117.75 -68.25 0.93 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.593 HG22 ' CG ' ' A' ' 61' ' ' GLU . 10.3 t -126.48 -10.88 6.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 13.6 t -144.32 179.84 6.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.742 HG22 ' HA ' ' A' ' 99' ' ' TYR . 67.8 p -121.68 -174.87 2.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.183 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.502 HD22 ' CB ' ' A' ' 43' ' ' PHE . 52.2 mt -90.74 113.13 25.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 31.9 mm -93.87 -70.33 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.097 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -144.51 147.08 34.99 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.627 0.727 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 138.41 37.89 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.365 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.443 ' HB2' ' CD2' ' A' ' 35' ' ' LEU . . . -47.47 147.98 2.63 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.631 0.729 . . . . 0.0 111.036 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.191 0 C-N-CA 122.693 2.262 . . . . 0.0 112.379 179.981 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.722 0.296 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -99.63 84.94 3.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.557 ' CE1' ' HE3' ' A' ' 96' ' ' LYS . 52.0 p90 -157.87 155.38 29.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -88.24 121.85 31.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.496 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 77.2 p -78.78 -17.46 55.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 95.6 p -84.63 -37.17 21.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 20' ' ' ALA . 12.0 t0 -60.71 88.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.59 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 14.5 mtm180 -58.55 -34.45 71.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.8 t -71.95 2.82 5.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.49 ' N ' ' OD1' ' A' ' 17' ' ' ASP . . . -112.91 -27.41 8.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.117 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.59 ' CZ2' ' HG3' ' A' ' 18' ' ' ARG . 59.5 p-90 -128.34 -41.22 1.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.467 ' N ' ' CE3' ' A' ' 21' ' ' TRP . 5.5 t80 -67.03 124.72 23.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.668 ' O ' ' C ' ' A' ' 24' ' ' GLY . 3.1 mmt -123.27 18.89 9.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.874 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.668 ' C ' ' O ' ' A' ' 23' ' ' MET . . . -1.19 -73.65 0.0 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.517 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.529 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.3 Cg_endo -69.78 74.5 1.29 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.704 2.269 . . . . 0.0 112.338 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.679 HG11 ' HB2' ' A' ' 31' ' ' ALA . 2.5 t -137.71 155.72 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.49 ' N ' ' CG1' ' A' ' 26' ' ' VAL . 6.1 t -115.53 137.66 51.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 27' ' ' SER . 7.0 tpt180 -36.51 -53.52 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -55.41 -41.54 72.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.594 ' O ' HG22 ' A' ' 33' ' ' THR . 8.9 tt0 -65.25 -72.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.679 ' HB2' HG11 ' A' ' 26' ' ' VAL . . . -37.73 -30.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 36' ' ' GLN . 6.1 mt-30 -73.22 -50.0 24.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.594 HG22 ' O ' ' A' ' 30' ' ' GLU . 1.6 t -58.19 -23.9 57.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.447 ' NH1' ' O ' ' A' ' 110' ' ' PRO . 2.0 mtp-105 -81.62 -33.38 31.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.5 mt -107.37 8.16 29.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 32' ' ' GLN . 3.0 tp-100 -86.57 113.13 22.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.95 -16.82 19.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.547 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.41 ' CG ' ' O ' ' A' ' 34' ' ' ARG . 11.8 mm100 -60.09 165.93 3.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.744 0.306 . . . . 0.0 110.925 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.82 158.67 6.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 21.6 m170 -76.66 124.25 27.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.844 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 129.61 -33.48 2.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.527 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 34.1 ttm -48.97 146.51 3.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.816 0.341 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -151.07 165.66 33.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.489 HD12 ' C ' ' A' ' 44' ' ' LEU . 3.4 pp -175.09 137.56 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.0 t -104.12 152.3 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.127 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.622 ' HG2' HG13 ' A' ' 56' ' ' VAL . 5.7 ptt85 -143.7 -178.08 5.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.457 ' CG ' ' O ' ' A' ' 47' ' ' ASP . 1.5 p-10 -95.02 111.96 23.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.81 -179.736 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.807 0.337 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.412 ' CD2' HD11 ' A' ' 88' ' ' LEU . 22.1 m-85 -136.0 -175.63 4.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.622 HG13 ' HG2' ' A' ' 46' ' ' ARG . 2.5 p -159.94 112.92 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.13 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.0 tp -86.02 105.5 16.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.9 m -91.07 129.53 37.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.62 HG22 ' HB2' ' A' ' 66' ' ' SER . 0.9 OUTLIER -136.34 160.06 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.085 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.5 t -97.14 102.28 14.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.997 ' CD ' HG22 ' A' ' 102' ' ' THR . 9.2 tt0 -152.65 151.65 30.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.467 ' N ' ' HG2' ' A' ' 61' ' ' GLU . 65.8 m-20 61.34 31.59 19.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.2 t 60.74 33.22 20.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -159.63 178.45 9.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 49.6 t -103.55 106.27 19.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.146 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.62 ' HB2' HG22 ' A' ' 59' ' ' VAL . 48.8 m -76.56 104.73 7.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -86.71 74.48 9.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.48 ' O ' HD12 ' A' ' 70' ' ' ILE . 43.9 m-85 -68.76 93.71 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 69.0 mt -63.76 123.06 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.151 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.481 ' CG2' ' HB3' ' A' ' 78' ' ' PHE . 4.5 mp -94.74 107.05 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.136 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -66.4 153.04 43.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.7 t -106.08 102.74 12.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.548 HD21 ' HB2' ' A' ' 79' ' ' LYS . 32.6 mt -73.54 145.89 85.43 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.575 0.702 . . . . 0.0 110.95 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -16.43 37.36 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.65 2.233 . . . . 0.0 112.318 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.45 ' O ' ' NH1' ' A' ' 77' ' ' ARG . 18.6 p-10 -83.15 35.3 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 53.87 37.0 25.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.45 ' NH1' ' O ' ' A' ' 75' ' ' ASN . 0.8 OUTLIER -143.0 167.52 21.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.913 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.481 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 89.6 m-85 -109.87 162.18 14.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.548 ' HB2' HD21 ' A' ' 73' ' ' LEU . 12.3 tttp -141.18 105.31 4.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.409 ' O ' HG23 ' A' ' 80' ' ' ILE . 3.7 tt -84.55 98.37 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 70.85 -97.66 0.65 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.44 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -120.81 22.28 11.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.749 0.309 . . . . 0.0 110.824 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -131.64 147.56 52.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.417 ' HG2' HD11 ' A' ' 73' ' ' LEU . 21.7 mt-10 -119.95 153.98 35.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.613 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 97.9 m-85 -146.24 158.43 43.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -56.99 -29.45 63.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 1.015 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 3.1 p80 -176.02 -175.0 0.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.818 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.51 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 9.8 mt -57.96 -59.41 13.28 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.59 0.71 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.7 Cg_endo -69.78 9.43 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.249 . . . . 0.0 112.356 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 1.015 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -107.16 -16.71 14.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.613 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.1 pp -97.93 -41.69 7.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.47 ' N ' HD12 ' A' ' 91' ' ' LEU . 16.6 mt -58.31 -33.87 69.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -76.61 -24.32 53.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -83.67 -15.2 49.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.498 ' CE1' HD23 ' A' ' 100' ' ' LEU . 5.4 m-85 -92.72 -14.24 28.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.557 ' HE3' ' CE1' ' A' ' 13' ' ' PHE . 36.2 mttp -57.0 -19.77 20.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.883 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.469 HG13 ' N ' ' A' ' 98' ' ' HIS . 42.3 pt -114.33 -34.47 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.469 ' N ' HG13 ' A' ' 97' ' ' ILE . 52.1 m170 -89.21 134.42 34.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.828 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.801 ' CD2' HG23 ' A' ' 104' ' ' THR . 20.5 m-85 -87.81 114.36 24.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.498 HD23 ' CE1' ' A' ' 95' ' ' TYR . 8.1 mt -46.47 -67.09 0.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -126.03 -62.81 1.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.997 HG22 ' CD ' ' A' ' 61' ' ' GLU . 8.2 t -128.52 -7.2 5.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.153 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.1 t -150.02 177.26 10.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.137 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.801 HG23 ' CD2' ' A' ' 99' ' ' TYR . 76.1 p -120.41 -178.36 3.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.173 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 86.0 mt -84.91 117.37 23.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 39.7 mm -94.36 -69.51 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -148.51 143.57 17.5 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.596 0.712 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 132.77 24.03 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.645 ' HB1' ' HD2' ' A' ' 110' ' ' PRO . . . -46.87 162.43 0.27 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.603 0.716 . . . . 0.0 111.093 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.645 ' HD2' ' HB1' ' A' ' 109' ' ' ALA . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.183 0 C-N-CA 122.639 2.226 . . . . 0.0 112.366 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.824 0.345 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.4 tpt85 -127.22 93.82 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -172.64 162.04 5.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -102.52 109.94 21.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.493 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 14.9 m -68.51 -23.7 64.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.3 t -73.57 -32.62 64.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.597 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 16.3 t70 -75.76 98.07 4.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.588 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 23.1 mtt180 -64.1 -39.91 95.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.8 t -64.85 -4.2 4.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.593 ' HB2' ' OD2' ' A' ' 17' ' ' ASP . . . -100.68 -26.55 13.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.077 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.597 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 51.7 p-90 -130.51 -47.03 1.07 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.517 ' N ' ' O ' ' A' ' 18' ' ' ARG . 10.0 t80 -58.01 96.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.954 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.573 ' HB3' HG21 ' A' ' 26' ' ' VAL . 6.6 mtt -99.75 37.1 1.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.557 ' C ' ' O ' ' A' ' 23' ' ' MET . . . -22.07 -67.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 72.07 1.46 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.728 2.285 . . . . 0.0 112.329 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.573 HG21 ' HB3' ' A' ' 23' ' ' MET . 15.7 t -148.18 124.72 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -81.19 149.19 29.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -48.43 -58.77 4.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -45.97 -30.23 1.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.758 ' O ' HG22 ' A' ' 33' ' ' THR . 11.3 tt0 -80.42 -69.29 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.677 ' HB1' HD21 ' A' ' 44' ' ' LEU . . . -36.24 -29.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 30' ' ' GLU . 5.3 mt-30 -71.5 -50.65 29.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.758 HG22 ' O ' ' A' ' 30' ' ' GLU . 10.9 t -59.44 -26.06 64.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -76.63 -33.62 58.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 mt -112.19 14.48 20.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 32' ' ' GLN . 2.9 tp-100 -88.5 106.19 18.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.38 -6.65 83.02 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.497 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -69.44 164.44 23.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.751 0.31 . . . . 0.0 110.94 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -58.16 147.66 29.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 56.3 m170 -63.48 117.8 7.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 42' ' ' MET . . . 140.41 -47.18 0.89 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.465 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.456 ' HG2' ' HB2' ' A' ' 109' ' ' ALA . 17.9 ttm -37.24 143.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.341 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.682 ' HB2' HG12 ' A' ' 59' ' ' VAL . 5.5 p90 -151.5 162.95 40.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.677 HD21 ' HB1' ' A' ' 31' ' ' ALA . 1.1 pp -164.36 142.17 6.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 23' ' ' MET . 57.7 t -112.03 114.85 48.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.167 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.556 ' HD3' HD11 ' A' ' 44' ' ' LEU . 5.7 ptt85 -120.36 166.64 13.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -65.67 139.06 58.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.812 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.849 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.789 0.328 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -136.13 166.1 24.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.625 HG22 HG12 ' A' ' 69' ' ' ILE . 69.7 t -138.72 111.96 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.479 ' CB ' HD11 ' A' ' 70' ' ' ILE . 4.6 tp -89.62 100.78 13.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 44.1 m -90.94 126.06 35.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.682 HG12 ' HB2' ' A' ' 43' ' ' PHE . 1.5 m -133.8 157.9 42.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.117 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.0 t -91.05 101.67 14.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.574 ' CG ' HG22 ' A' ' 102' ' ' THR . 13.7 tt0 -143.75 144.54 31.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 57.84 53.08 7.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.1 m 45.32 30.94 0.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.8 ptt-85 -156.0 176.61 12.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 39.9 t -99.04 97.03 5.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.5 m -70.11 97.99 1.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.857 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -80.39 104.11 10.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -100.57 97.55 8.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.962 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.625 HG12 HG22 ' A' ' 56' ' ' VAL . 93.1 mt -64.78 136.01 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.479 HD11 ' CB ' ' A' ' 57' ' ' LEU . 5.2 mp -102.74 113.55 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.17 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -75.02 131.64 40.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.2 t -91.08 106.19 18.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.738 HD11 ' HB2' ' A' ' 79' ' ' LYS . 18.3 mt -82.98 151.38 63.61 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.629 0.728 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -23.97 30.37 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.665 2.243 . . . . 0.0 112.362 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 76' ' ' ARG . 4.6 t-20 -78.67 49.32 0.88 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.845 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 75' ' ' ASN . 6.0 mmm180 35.87 42.8 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.2 mtp-105 -144.32 161.95 37.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -110.18 160.79 16.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.738 ' HB2' HD11 ' A' ' 73' ' ' LEU . 75.5 tttt -141.63 106.12 4.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.572 ' O ' HG23 ' A' ' 80' ' ' ILE . 15.1 tt -96.62 102.44 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.31 -108.08 2.58 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.537 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -118.11 21.35 12.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.71 0.29 . . . . 0.0 110.811 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -129.4 163.27 26.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -137.85 150.48 47.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.567 ' CD1' ' HA ' ' A' ' 91' ' ' LEU . 97.2 m-85 -137.96 -178.47 5.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.858 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -76.89 -29.83 55.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 1.008 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 2.7 p80 -175.88 -174.99 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.496 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 9.0 mt -56.5 -60.02 10.43 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.57 0.7 . . . . 0.0 110.921 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.2 Cg_endo -69.79 9.1 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.645 2.23 . . . . 0.0 112.346 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 1.008 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -109.01 -19.47 13.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.567 ' HA ' ' CD1' ' A' ' 85' ' ' PHE . 3.1 pp -94.73 -40.37 9.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.9 mt -64.17 -39.62 94.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.471 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 5.5 pt-20 -65.33 -25.21 67.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.631 ' CE2' ' CD2' ' A' ' 98' ' ' HIS . 31.7 t80 -84.6 -24.49 29.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.735 ' CE1' HD23 ' A' ' 100' ' ' LEU . 17.7 m-85 -84.14 -19.97 33.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.471 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 7.9 mtpm? -53.02 -19.18 2.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.917 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.437 HG13 ' N ' ' A' ' 98' ' ' HIS . 35.7 pt -116.24 -34.96 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.156 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.631 ' CD2' ' CE2' ' A' ' 94' ' ' PHE . 3.5 m-70 -85.28 146.27 27.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.824 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.689 ' CD2' HG23 ' A' ' 104' ' ' THR . 3.3 m-85 -96.45 113.94 25.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.735 HD23 ' CE1' ' A' ' 95' ' ' TYR . 8.9 mt -48.77 -66.63 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.939 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -123.6 -63.36 1.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.574 HG22 ' CG ' ' A' ' 61' ' ' GLU . 11.8 t -127.55 -8.93 5.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 4.4 t -144.46 -175.95 4.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.689 HG23 ' CD2' ' A' ' 99' ' ' TYR . 44.5 p -124.39 -177.21 3.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.565 HD12 ' HB2' ' A' ' 95' ' ' TYR . 70.0 mt -91.81 105.01 17.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 25.5 mm -79.04 -70.75 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -151.32 152.56 31.18 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.586 0.708 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 140.12 41.81 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.637 2.225 . . . . 0.0 112.382 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.492 ' O ' ' HE1' ' A' ' 23' ' ' MET . . . -57.98 151.51 44.3 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.562 0.696 . . . . 0.0 111.087 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.153 0 C-N-CA 122.697 2.264 . . . . 0.0 112.322 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.789 0.328 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -125.25 90.26 3.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.495 ' CE1' ' NZ ' ' A' ' 96' ' ' LYS . 37.7 p90 -148.86 155.8 41.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -83.05 91.36 7.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.49 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 67.7 m -58.68 -24.09 60.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.6 m -77.88 -33.51 52.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.603 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 7.8 t70 -71.51 102.74 2.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.821 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.599 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 6.8 mtm-85 -66.5 -34.18 77.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.2 t -70.52 2.32 4.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.82 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -109.66 -26.2 10.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.082 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.603 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 56.8 p-90 -130.38 -43.55 1.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.448 ' N ' ' CE3' ' A' ' 21' ' ' TRP . 9.8 t80 -64.51 105.66 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.742 ' HB3' HG21 ' A' ' 26' ' ' VAL . 4.5 mmt -88.48 -1.48 58.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.503 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 28.67 -91.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.521 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.5 Cg_endo -69.77 79.49 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.706 2.271 . . . . 0.0 112.341 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.742 HG21 ' HB3' ' A' ' 23' ' ' MET . 24.9 t -154.09 130.02 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.9 m -89.79 162.03 15.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 28' ' ' ARG . 19.1 ttp-105 -54.48 -54.28 43.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -46.3 -31.08 2.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.572 ' O ' HG22 ' A' ' 33' ' ' THR . 10.4 tt0 -83.0 -70.6 0.54 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.451 ' HB1' HD11 ' A' ' 44' ' ' LEU . . . -35.83 -29.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.041 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.511 ' N ' ' O ' ' A' ' 30' ' ' GLU . 5.5 mt-30 -72.52 -53.48 11.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.572 HG22 ' O ' ' A' ' 30' ' ' GLU . 3.9 t -58.27 -23.05 54.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.448 ' NH1' ' O ' ' A' ' 110' ' ' PRO . 1.6 mtp-105 -78.67 -35.71 44.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.421 ' CD2' ' HG2' ' A' ' 42' ' ' MET . 12.3 mt -107.52 4.22 25.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 32' ' ' GLN . 3.0 tp-100 -82.01 117.65 22.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.25 -21.36 7.17 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.446 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -57.96 169.23 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 110.934 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.23 154.69 34.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -69.59 124.0 22.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.414 ' HA3' ' CG1' ' A' ' 106' ' ' ILE . . . 132.6 -39.23 1.77 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.519 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.431 ' HG2' ' HB2' ' A' ' 109' ' ' ALA . 23.1 ttm -45.65 143.99 1.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.578 ' HB2' HG12 ' A' ' 59' ' ' VAL . 2.6 p90 -150.36 171.01 17.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.451 HD11 ' HB1' ' A' ' 31' ' ' ALA . 4.3 pp -174.84 149.25 1.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 30.6 t -120.55 122.67 68.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.47 ' NH2' ' CA ' ' A' ' 28' ' ' ARG . 4.3 ptt85 -125.24 179.82 4.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -82.02 109.87 16.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.419 ' CB ' HG23 ' A' ' 56' ' ' VAL . 1.6 p . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.856 0.36 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -117.74 165.55 13.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.945 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.419 HG23 ' CB ' ' A' ' 48' ' ' SER . 77.1 t -140.72 108.49 2.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.125 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.816 ' HB2' HD11 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -79.97 106.52 12.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.7 m -97.11 133.52 41.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.578 HG12 ' HB2' ' A' ' 43' ' ' PHE . 1.2 m -143.89 154.2 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.142 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.2 t -88.41 101.39 13.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.657 ' CD ' HG22 ' A' ' 102' ' ' THR . 12.5 tt0 -149.77 147.44 28.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.416 ' N ' ' HG2' ' A' ' 61' ' ' GLU . 44.1 m-20 56.74 54.88 6.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.4 t 41.69 30.39 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.2 ptt-85 -155.08 176.52 12.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.461 HG21 ' HA ' ' A' ' 32' ' ' GLN . 19.1 t -104.42 100.67 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.509 ' HB3' HG22 ' A' ' 59' ' ' VAL . 0.6 OUTLIER -64.42 112.11 2.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.844 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -97.76 82.91 3.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.545 ' O ' HD12 ' A' ' 70' ' ' ILE . 50.9 m-85 -78.79 114.03 17.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.929 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 80.2 mt -73.2 129.08 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.816 HD11 ' HB2' ' A' ' 57' ' ' LEU . 3.7 mp -106.17 106.53 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -70.83 140.72 51.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.4 t -100.99 100.65 11.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.816 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' A' ' 79' ' ' LYS . 19.4 mt -73.77 145.49 84.34 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.621 0.724 . . . . 0.0 110.942 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -4.69 14.53 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.701 2.267 . . . . 0.0 112.354 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -92.25 30.85 1.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 57.01 32.49 21.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -143.26 159.39 42.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -105.25 162.46 13.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.571 ' HB2' HD11 ' A' ' 73' ' ' LEU . 71.4 tttt -135.97 104.98 5.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.572 ' O ' HG23 ' A' ' 80' ' ' ILE . 5.8 tt -96.61 97.11 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.15 -108.4 2.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.453 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -118.71 28.12 8.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.793 0.33 . . . . 0.0 110.898 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -137.4 164.98 27.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -134.98 153.55 52.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.58 ' CD2' ' HB3' ' A' ' 91' ' ' LEU . 97.9 m-85 -139.95 169.83 16.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -67.19 -31.3 71.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.615 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 2.2 p80 -177.45 -175.02 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.523 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 8.8 mt -56.63 -58.92 14.11 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.628 0.728 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.7 Cg_endo -69.75 21.55 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.677 2.252 . . . . 0.0 112.343 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.615 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -117.92 -39.37 3.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.075 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.58 ' HB3' ' CD2' ' A' ' 85' ' ' PHE . 3.8 pp -73.37 -42.17 62.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.486 ' N ' HD12 ' A' ' 91' ' ' LEU . 13.1 mt -60.0 -38.7 83.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.477 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 2.8 mt-10 -64.8 -28.29 69.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -86.44 -15.93 38.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.603 ' CE1' HD23 ' A' ' 100' ' ' LEU . 5.9 m-85 -91.41 -24.79 19.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.993 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.495 ' NZ ' ' CE1' ' A' ' 13' ' ' PHE . 12.6 mtpp -49.22 -19.87 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.909 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 50.1 pt -114.87 -31.54 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.136 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -87.98 144.03 26.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.776 ' CD2' HG23 ' A' ' 104' ' ' THR . 5.2 m-85 -94.35 113.6 25.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.603 HD23 ' CE1' ' A' ' 95' ' ' TYR . 8.0 mt -51.93 -70.2 0.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -115.43 -66.3 1.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.657 HG22 ' CD ' ' A' ' 61' ' ' GLU . 10.2 t -127.69 -11.45 5.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.175 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.4 HG23 ' N ' ' A' ' 104' ' ' THR . 1.3 t -140.67 -178.58 5.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.776 HG23 ' CD2' ' A' ' 99' ' ' TYR . 52.0 p -123.45 175.98 6.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 83.3 mt -83.59 110.97 18.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.414 ' CG1' ' HA3' ' A' ' 41' ' ' GLY . 32.0 mm -87.3 -71.36 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -147.33 141.68 16.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.609 0.719 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 43' ' ' PHE . 53.6 Cg_endo -69.76 130.21 18.95 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.702 2.268 . . . . 0.0 112.304 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.431 ' HB2' ' HG2' ' A' ' 42' ' ' MET . . . -48.82 149.49 3.12 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.623 0.725 . . . . 0.0 111.075 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.448 ' O ' ' NH1' ' A' ' 34' ' ' ARG . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.185 0 C-N-CA 122.74 2.293 . . . . 0.0 112.334 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.761 0.315 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.2 tpt85 -140.73 106.13 5.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -169.23 174.24 6.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -101.6 86.76 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.826 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.487 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 66.5 m -50.66 -18.05 0.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.5 t -81.19 -42.1 21.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.608 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 11.1 t0 -58.97 89.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.593 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 15.8 mtm180 -57.09 -37.69 72.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.4 t -69.56 0.33 5.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.495 ' N ' ' OD1' ' A' ' 17' ' ' ASP . . . -108.72 -25.86 10.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.078 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.608 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 42.3 p-90 -129.69 -44.54 1.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.489 ' HB2' ' CZ3' ' A' ' 21' ' ' TRP . 15.9 t80 -69.1 97.67 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.888 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.607 ' HB3' HG21 ' A' ' 26' ' ' VAL . 5.1 mtt -98.18 35.06 1.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.599 ' C ' ' O ' ' A' ' 23' ' ' MET . . . -19.56 -69.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 72.42 1.44 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.681 2.254 . . . . 0.0 112.365 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.607 HG21 ' HB3' ' A' ' 23' ' ' MET . 9.5 t -147.36 142.18 19.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.113 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.0 m -93.29 153.82 18.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -52.75 -54.91 27.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -50.68 -42.18 56.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.712 ' O ' HG22 ' A' ' 33' ' ' THR . 9.8 tt0 -64.47 -64.63 0.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 30' ' ' GLU . . . -36.18 -36.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.107 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 36' ' ' GLN . 3.8 mt-30 -65.6 -54.05 33.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.712 HG22 ' O ' ' A' ' 30' ' ' GLU . 4.1 t -57.13 -23.63 48.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.418 ' NH1' ' HB3' ' A' ' 34' ' ' ARG . 1.5 mtp-105 -81.09 -34.11 32.88 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.592 HD11 ' CD2' ' A' ' 44' ' ' LEU . 14.0 mt -113.6 17.4 18.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 32' ' ' GLN . 3.0 tp-100 -95.47 111.15 23.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.89 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.28 -22.08 34.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.53 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -60.11 164.1 4.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.784 0.326 . . . . 0.0 110.936 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.416 HH11 ' CE ' ' A' ' 42' ' ' MET . 0.1 OUTLIER -57.91 154.8 11.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 50.8 m170 -70.42 117.54 12.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 139.77 -40.91 1.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.432 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 30.0 ttm -44.86 142.01 1.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.418 ' HB2' HG12 ' A' ' 59' ' ' VAL . 11.0 p90 -144.84 172.29 13.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.592 ' CD2' HD11 ' A' ' 35' ' ' LEU . 3.5 pp -173.38 137.46 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.467 HG11 HD11 ' A' ' 88' ' ' LEU . 47.4 t -106.38 103.6 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.539 HH12 HG11 ' A' ' 56' ' ' VAL . 0.6 OUTLIER -106.2 177.98 4.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -80.01 131.55 35.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.565 ' HB2' HG23 ' A' ' 56' ' ' VAL . 32.5 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.765 0.316 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.43 ' CE2' ' CE2' ' A' ' 78' ' ' PHE . 20.5 m-85 -118.03 169.12 9.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.565 HG23 ' HB2' ' A' ' 48' ' ' SER . 84.4 t -138.19 108.87 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.128 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.7 tp -88.48 102.11 14.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.4 m -90.74 129.74 36.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.557 HG22 ' HB3' ' A' ' 66' ' ' SER . 1.0 OUTLIER -135.31 151.82 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.196 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.8 t -84.54 118.63 24.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.588 ' HG3' HG22 ' A' ' 102' ' ' THR . 2.1 tm-20 -160.68 137.99 9.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.2 m120 57.22 52.47 8.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.0 m 46.03 30.63 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.427 ' CG ' ' O ' ' A' ' 61' ' ' GLU . 0.1 OUTLIER -146.03 -178.71 6.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.466 HG21 ' HA ' ' A' ' 32' ' ' GLN . 78.6 t -115.16 96.89 4.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.557 ' HB3' HG22 ' A' ' 59' ' ' VAL . 1.0 OUTLIER -66.33 118.13 9.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.831 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -97.91 97.76 9.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -90.42 101.89 14.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.944 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 83.0 mt -68.6 137.14 25.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.456 ' CG2' ' HB3' ' A' ' 78' ' ' PHE . 5.3 mp -116.99 107.2 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -71.98 129.53 38.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.6 t -82.82 111.97 19.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.831 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.528 HD21 ' HB2' ' A' ' 79' ' ' LYS . 37.6 mt -78.37 151.05 77.62 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.569 0.7 . . . . 0.0 110.94 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -23.82 30.36 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.656 2.237 . . . . 0.0 112.396 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -86.29 49.52 1.81 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.7 mmm-85 39.5 49.15 1.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -145.52 158.15 43.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.456 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 88.5 m-85 -108.99 154.11 22.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.528 ' HB2' HD21 ' A' ' 73' ' ' LEU . 63.2 tttt -133.5 102.17 5.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.7 tt -95.04 110.13 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 70.61 -108.41 2.47 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.508 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -118.94 23.35 11.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.731 0.301 . . . . 0.0 110.828 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -131.95 163.98 27.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -136.46 143.23 43.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.594 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 97.5 m-85 -128.69 -179.37 5.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.857 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -81.23 -27.32 35.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 1.002 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 3.1 p80 -175.84 -174.99 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.536 ' HB3' ' CH2' ' A' ' 21' ' ' TRP . 3.8 mm? -57.16 -60.19 10.41 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.627 0.727 . . . . 0.0 110.948 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 54.0 Cg_endo -69.72 8.49 0.75 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.688 2.259 . . . . 0.0 112.328 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 1.002 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -105.93 -16.63 14.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.111 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.594 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 2.7 pp -100.99 -40.04 7.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.0 mt -63.65 -37.2 86.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.947 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -73.18 -26.17 61.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -82.59 -25.74 32.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.444 ' CE1' HD23 ' A' ' 100' ' ' LEU . 6.8 m-85 -81.31 -17.03 50.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.6 mttm -49.22 -21.9 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 48.6 pt -111.97 -32.26 2.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.507 ' O ' HG22 ' A' ' 104' ' ' THR . 4.4 m-70 -86.63 146.39 26.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.657 ' CD2' HG23 ' A' ' 104' ' ' THR . 2.2 m-85 -101.64 114.65 28.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.444 HD23 ' CE1' ' A' ' 95' ' ' TYR . 5.7 mt -51.84 -66.84 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.957 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -117.94 -67.74 0.97 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.588 HG22 ' HG3' ' A' ' 61' ' ' GLU . 12.9 t -130.68 -3.88 4.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 9.7 t -146.09 175.91 10.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.188 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.657 HG23 ' CD2' ' A' ' 99' ' ' TYR . 81.7 p -116.03 177.29 4.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.125 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.0 mt -86.27 114.5 23.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 24.4 mm -93.16 -70.28 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -149.46 144.09 17.52 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.588 0.709 . . . . 0.0 110.905 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 138.21 37.24 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -50.49 150.9 4.34 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.575 0.703 . . . . 0.0 111.134 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.162 0 C-N-CA 122.66 2.24 . . . . 0.0 112.374 179.994 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.7 p 44.59 45.08 7.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.888 0.375 . . . . 0.0 110.905 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m -108.52 108.36 19.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.69 145.4 8.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.495 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.8 p -171.98 168.29 5.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.893 0.378 . . . . 0.0 110.834 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.2 p -130.36 174.88 9.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.828 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.78 158.78 15.3 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.539 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.6 ttp -98.99 40.86 1.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.9 m -130.41 106.64 8.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.2 m -49.06 -45.25 42.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.863 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.84 108.26 17.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -134.27 79.3 1.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.418 ' CG ' ' HD3' ' A' ' 108' ' ' PRO . 32.9 p90 -152.91 151.85 30.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -84.47 119.68 25.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.825 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.421 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 18.6 p -76.64 -34.1 58.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 m -82.58 17.64 1.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.553 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 11.4 t70 -119.28 91.45 3.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.592 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 5.8 mtm-85 -59.54 -34.81 73.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 t -71.48 3.22 4.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.858 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.431 ' HB2' ' OD1' ' A' ' 17' ' ' ASP . . . -112.78 -27.02 8.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.113 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.592 ' CZ2' ' HG3' ' A' ' 18' ' ' ARG . 48.2 p-90 -129.34 -41.47 1.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.438 ' N ' ' O ' ' A' ' 18' ' ' ARG . 7.4 t80 -66.05 116.41 7.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.726 ' HB3' HG21 ' A' ' 26' ' ' VAL . 4.6 mmt -96.04 0.67 51.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.514 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 28.96 -91.7 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.439 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.509 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.5 Cg_endo -69.77 78.72 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.7 2.267 . . . . 0.0 112.293 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.726 HG21 ' HB3' ' A' ' 23' ' ' MET . 33.0 t -155.42 135.59 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.8 m -103.69 161.4 13.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.5 ttt85 -49.11 -54.01 18.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -44.2 -43.88 7.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.614 ' O ' HG22 ' A' ' 33' ' ' THR . 17.2 tt0 -74.8 -67.28 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 30' ' ' GLU . . . -35.39 -40.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.085 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.496 ' O ' ' N ' ' A' ' 36' ' ' GLN . 4.4 mt-30 -61.84 -53.56 54.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.614 HG22 ' O ' ' A' ' 30' ' ' GLU . 1.3 t -59.15 -22.96 61.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.067 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -81.39 -30.82 33.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.446 ' CD2' ' HG2' ' A' ' 42' ' ' MET . 15.3 mt -112.05 7.82 19.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 32' ' ' GLN . 2.8 tp-100 -84.55 107.17 16.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.98 -15.33 53.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.536 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -59.41 161.31 5.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 110.918 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 4.5 ptp180 -51.39 141.34 15.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 47.2 m170 -61.94 124.71 21.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.41 -30.62 4.22 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.441 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.446 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 31.8 ttm -51.11 144.19 9.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.462 ' CB ' HG22 ' A' ' 59' ' ' VAL . 2.2 p90 -151.05 169.85 20.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.517 HD13 ' HG3' ' A' ' 23' ' ' MET . 4.3 pp -171.14 152.11 3.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.7 t -122.53 119.83 59.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.528 ' HD2' HG12 ' A' ' 26' ' ' VAL . 16.5 ptt-85 -123.79 170.47 10.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -72.66 117.55 14.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.7 t -58.31 152.57 17.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 78.7 p -110.25 -48.48 3.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.817 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.5 p -46.86 -43.53 18.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.7 m -129.31 135.94 28.36 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.608 0.718 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 123.56 10.24 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.684 2.256 . . . . 0.0 112.368 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 102.34 -48.89 1.03 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.527 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -54.27 164.38 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -127.66 170.33 12.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 23.5 t -137.42 113.19 11.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.46 ' CB ' HD11 ' A' ' 70' ' ' ILE . 26.1 tp -90.27 90.54 8.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.3 m -74.72 119.17 18.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.478 ' O ' ' N ' ' A' ' 66' ' ' SER . 2.2 t -118.84 154.63 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.09 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.464 ' N ' ' CG1' ' A' ' 59' ' ' VAL . 11.9 t -102.72 119.69 39.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.448 ' CG ' ' CG2' ' A' ' 102' ' ' THR . 6.8 tp10 -171.98 149.79 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.876 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 60.28 39.31 19.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.0 m 54.79 26.44 7.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -146.22 -177.26 5.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.415 HG21 ' HA ' ' A' ' 32' ' ' GLN . 45.8 t -109.77 100.84 11.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 59' ' ' VAL . 3.9 m -74.09 97.68 2.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -80.15 108.51 13.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.661 ' CE2' HD13 ' A' ' 100' ' ' LEU . 47.6 m-85 -99.56 94.87 6.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 88.4 mt -60.22 143.0 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.503 HD12 ' O ' ' A' ' 68' ' ' TYR . 5.0 mp -118.64 97.56 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -60.11 146.32 43.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.7 t -98.11 102.88 14.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 71.5 mt -74.77 147.71 84.44 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.645 0.736 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -20.59 34.9 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.691 2.261 . . . . 0.0 112.339 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -87.45 38.56 0.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? 48.54 42.55 19.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 69.2 mtt180 -134.6 166.77 22.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.452 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 58.2 m-85 -118.71 136.21 54.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -118.55 101.47 8.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.661 HD11 ' HB3' ' A' ' 68' ' ' TYR . 5.5 tt -91.46 98.86 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.109 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.78 -108.54 2.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.516 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -117.84 24.8 10.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.734 0.302 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -131.97 161.55 32.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -134.97 149.94 50.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.569 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 98.9 m-85 -140.22 -178.7 5.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -76.11 -30.28 58.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 1.011 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 2.9 p80 -175.97 -175.03 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.497 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 8.5 mt -56.45 -60.13 10.06 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.614 0.721 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.9 Cg_endo -69.75 9.78 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 1.011 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -109.94 -16.13 13.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.569 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.0 pp -97.05 -41.03 8.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.409 ' N ' HD12 ' A' ' 91' ' ' LEU . 8.4 mt -61.73 -34.74 76.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.45 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 11.7 pt-20 -71.9 -24.84 61.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.469 ' CE2' ' CD2' ' A' ' 98' ' ' HIS . 29.6 t80 -84.81 -17.47 38.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.617 ' CE1' HD23 ' A' ' 100' ' ' LEU . 10.1 m-85 -92.7 -18.57 22.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.45 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 23.4 mtpt -52.29 -18.72 1.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.418 HG13 ' N ' ' A' ' 98' ' ' HIS . 48.8 pt -117.2 -33.9 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.469 ' CD2' ' CE2' ' A' ' 94' ' ' PHE . 4.2 m-70 -83.84 143.81 29.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.766 ' HA ' HG22 ' A' ' 104' ' ' THR . 6.7 m-85 -95.36 114.59 26.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.661 HD13 ' CE2' ' A' ' 68' ' ' TYR . 6.8 mt -51.02 -68.66 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.938 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -120.96 -64.86 1.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.448 ' CG2' ' CG ' ' A' ' 61' ' ' GLU . 14.2 t -126.21 -8.07 6.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.9 t -146.56 -176.23 5.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.16 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.766 HG22 ' HA ' ' A' ' 99' ' ' TYR . 31.0 p -125.74 174.07 8.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.184 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.571 HD12 ' HB2' ' A' ' 95' ' ' TYR . 41.1 mt -81.1 111.81 17.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.8 mm -87.67 -68.35 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -151.64 151.99 29.59 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.669 0.747 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.418 ' HD3' ' CG ' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.85 143.46 50.5 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.682 2.255 . . . . 0.0 112.348 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.512 ' HB1' ' HD2' ' A' ' 110' ' ' PRO . . . -51.33 158.5 1.35 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.566 0.698 . . . . 0.0 111.09 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.512 ' HD2' ' HB1' ' A' ' 109' ' ' ALA . 53.6 Cg_endo -69.75 148.54 65.38 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.724 2.283 . . . . 0.0 112.333 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 110' ' ' PRO . 16.6 mmt180 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 002 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 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 t -99.54 142.22 31.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 110.845 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.7 m -103.08 96.54 6.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.27 -90.84 0.34 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.475 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t 66.05 42.95 3.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 0.0 110.85 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.8 p -141.03 137.93 33.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.839 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.23 116.91 1.18 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.63 86.03 3.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.779 0.324 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.1 m -154.88 120.36 5.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.816 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 11' ' ' ALA . 58.6 m -64.22 159.98 19.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 10' ' ' SER . . . 36.16 51.43 0.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.106 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? -110.43 93.36 4.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -147.83 167.05 25.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -96.02 91.37 5.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.477 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 92.9 p -55.35 -16.46 3.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.807 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.6 t -83.07 -40.95 19.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.555 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 11.9 t0 -59.85 88.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.843 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.582 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 22.7 mtt180 -57.9 -37.24 73.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.5 t -69.61 -0.92 7.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.461 ' N ' ' OD1' ' A' ' 17' ' ' ASP . . . -107.83 -28.05 9.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.582 ' CZ2' ' HG3' ' A' ' 18' ' ' ARG . 60.8 p-90 -127.14 -43.06 1.67 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.479 ' N ' ' O ' ' A' ' 18' ' ' ARG . 20.8 t80 -68.93 113.15 6.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.73 ' HB3' HG21 ' A' ' 26' ' ' VAL . 6.4 mmt -94.46 -3.53 49.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.53 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 26.09 -89.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.545 ' N ' ' O ' ' A' ' 23' ' ' MET . 54.1 Cg_endo -69.75 78.86 0.98 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.629 2.219 . . . . 0.0 112.323 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.73 HG21 ' HB3' ' A' ' 23' ' ' MET . 10.5 t -151.65 135.19 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.2 t -82.83 158.76 22.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.401 ' HA ' ' CZ ' ' A' ' 46' ' ' ARG . 33.8 ttt180 -60.75 -48.85 79.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -53.5 -33.12 53.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.73 ' O ' HG22 ' A' ' 33' ' ' THR . 15.7 tt0 -73.85 -68.84 0.48 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.415 ' HB2' ' HD3' ' A' ' 46' ' ' ARG . . . -36.6 -29.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.557 ' HA ' HG21 ' A' ' 65' ' ' VAL . 5.0 mt-30 -72.49 -51.21 21.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.73 HG22 ' O ' ' A' ' 30' ' ' GLU . 9.7 t -58.96 -26.17 64.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.153 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 110' ' ' PRO . 1.7 mtp-105 -79.39 -32.7 43.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.45 HD13 ' C ' ' A' ' 58' ' ' SER . 8.3 mt -110.02 10.92 24.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.497 ' N ' ' O ' ' A' ' 32' ' ' GLN . 2.8 tp-100 -90.52 111.69 23.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.75 -18.34 26.25 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -58.13 172.27 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.76 0.314 . . . . 0.0 110.953 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -66.59 140.98 57.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 56.6 m170 -60.01 124.7 21.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 132.13 -35.27 2.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.485 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 30.0 ttm -53.11 147.11 10.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.859 0.362 . . . . 0.0 110.836 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 108' ' ' PRO . 5.2 p90 -154.83 170.93 20.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.566 HD12 ' C ' ' A' ' 44' ' ' LEU . 4.1 pp -169.14 155.13 6.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.467 ' O ' ' CD1' ' A' ' 22' ' ' TYR . 20.1 t -126.14 108.44 19.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.415 ' HD3' ' HB2' ' A' ' 31' ' ' ALA . 19.0 ptt-85 -114.36 173.91 6.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -76.54 123.84 26.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 4.8 t -68.31 117.73 10.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 50' ' ' THR . 52.3 m -74.46 -50.42 18.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 49' ' ' SER . 29.7 p -35.12 -40.77 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.141 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 13.1 m -158.0 143.42 12.28 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.601 0.715 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 151.19 69.16 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.739 2.293 . . . . 0.0 112.341 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.52 -36.88 3.19 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.523 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' A' ' 48' ' ' SER . 5.1 m-20 -79.53 152.11 30.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.354 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -125.23 166.76 15.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.3 t -134.66 119.43 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.624 ' HB2' HD11 ' A' ' 70' ' ' ILE . 26.6 tp -93.05 89.13 6.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.45 ' C ' HD13 ' A' ' 35' ' ' LEU . 45.4 m -77.49 117.64 19.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.538 HG13 ' HB2' ' A' ' 66' ' ' SER . 0.1 OUTLIER -130.12 141.25 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.106 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.5 t -79.6 118.27 21.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.503 ' CG ' HG22 ' A' ' 102' ' ' THR . 4.0 tp10 -169.98 143.66 2.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 62.05 50.86 3.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.943 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.2 t 44.35 33.38 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 42.2 ptt85 -162.95 173.24 13.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.557 HG21 ' HA ' ' A' ' 32' ' ' GLN . 59.9 t -98.47 106.26 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.538 ' HB2' HG13 ' A' ' 59' ' ' VAL . 61.4 m -73.46 89.51 1.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -68.46 85.07 0.28 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.61 ' HB3' HD11 ' A' ' 80' ' ' ILE . 21.3 m-85 -80.11 92.89 5.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 91.7 mt -61.38 144.71 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.624 HD11 ' HB2' ' A' ' 57' ' ' LEU . 5.2 mp -117.43 109.61 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -72.69 133.69 44.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.3 t -91.72 111.32 22.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.428 HD11 ' HB2' ' A' ' 79' ' ' LYS . 22.9 mt -83.55 149.77 58.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.608 0.718 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -7.89 22.21 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.707 2.271 . . . . 0.0 112.36 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.99 24.52 4.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 40.8 mtt85 61.92 26.86 16.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.28 157.99 35.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.836 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.572 ' CE2' ' HG ' ' A' ' 88' ' ' LEU . 47.8 m-85 -106.01 147.52 28.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.428 ' HB2' HD11 ' A' ' 73' ' ' LEU . 77.0 tttt -128.43 101.87 6.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.61 HD11 ' HB3' ' A' ' 68' ' ' TYR . 4.7 tt -91.7 102.6 13.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.99 -106.7 2.08 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -116.46 18.25 15.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.791 0.329 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.8 mp0 -123.84 156.6 35.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -131.73 142.97 49.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.57 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 99.3 m-85 -132.32 177.99 7.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -75.74 -30.94 59.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 1.013 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 2.9 p80 -175.88 -175.03 0.71 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.572 ' HG ' ' CE2' ' A' ' 78' ' ' PHE . 9.3 mt -56.56 -60.23 9.84 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.618 0.723 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.1 Cg_endo -69.78 9.0 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.656 2.238 . . . . 0.0 112.339 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 1.013 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -107.92 -22.07 12.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.57 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.2 pp -92.53 -40.14 10.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 23.8 mt -60.68 -34.57 74.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.481 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 5.4 pt-20 -72.39 -26.44 61.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.869 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -84.23 -22.25 30.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.547 ' CE1' HD23 ' A' ' 100' ' ' LEU . 3.2 m-85 -84.72 -24.78 28.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.481 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 31.0 mtpt -50.2 -19.59 0.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.475 HG13 ' N ' ' A' ' 98' ' ' HIS . 46.8 pt -112.87 -36.15 2.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.123 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.475 ' N ' HG13 ' A' ' 97' ' ' ILE . 56.8 m170 -87.99 134.91 33.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.702 ' CD2' HG23 ' A' ' 104' ' ' THR . 29.5 m-85 -85.25 114.09 22.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.547 HD23 ' CE1' ' A' ' 95' ' ' TYR . 13.6 mt -48.43 -71.04 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -121.33 -64.86 1.19 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.503 HG22 ' CG ' ' A' ' 61' ' ' GLU . 7.3 t -126.8 -5.17 6.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.401 HG23 ' N ' ' A' ' 104' ' ' THR . 1.2 t -151.52 -178.74 6.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.162 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.702 HG23 ' CD2' ' A' ' 99' ' ' TYR . 45.1 p -120.18 178.09 4.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.435 HD21 HD11 ' A' ' 100' ' ' LEU . 82.6 mt -86.99 101.78 13.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 18.8 mm -73.86 -71.59 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.117 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -150.57 152.33 32.39 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.669 0.747 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' A' ' 43' ' ' PHE . 53.4 Cg_endo -69.8 137.73 36.01 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.26 . . . . 0.0 112.338 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.589 ' HB1' ' HD2' ' A' ' 110' ' ' PRO . . . -51.04 160.86 0.77 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.629 0.728 . . . . 0.0 111.087 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.589 ' HD2' ' HB1' ' A' ' 109' ' ' ALA . 53.5 Cg_endo -69.77 163.1 39.55 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.427 ' HB3' ' NH1' ' A' ' 111' ' ' ARG . 6.1 mmm180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -165.47 136.22 3.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.892 0.377 . . . . 0.0 110.836 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.7 p -156.4 175.69 13.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.822 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.17 135.36 1.86 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.517 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.8 t -169.77 135.99 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.339 . . . . 0.0 110.841 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.7 m -153.5 149.92 28.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.18 159.44 7.95 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.6 ttm -101.89 89.01 3.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.329 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.3 p -91.64 166.18 12.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.833 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 12' ' ' ARG . 83.2 p -60.52 -175.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 10' ' ' SER . . . -35.43 94.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.086 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 10' ' ' SER . 3.8 tmt_? -127.41 99.28 5.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.401 ' CG ' ' HD3' ' A' ' 108' ' ' PRO . 29.9 p90 -165.5 172.6 11.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -106.17 92.4 4.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.495 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 82.4 p -54.99 -21.51 12.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 88.7 p -79.08 -41.89 27.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.589 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 14.7 t70 -64.6 95.16 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.835 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.597 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 22.1 mtm180 -58.33 -39.15 78.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 t -66.53 -3.91 7.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.403 ' HB2' ' OD1' ' A' ' 17' ' ' ASP . . . -101.73 -27.9 12.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.597 ' CZ2' ' HG3' ' A' ' 18' ' ' ARG . 31.2 p-90 -127.57 -46.49 1.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.944 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.511 ' N ' ' O ' ' A' ' 18' ' ' ARG . 26.1 t80 -65.92 101.5 0.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.963 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.776 ' HG3' HD13 ' A' ' 44' ' ' LEU . 4.2 mmt -79.39 -5.74 55.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.506 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 29.07 -91.84 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.499 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.507 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.8 Cg_endo -69.79 78.83 0.99 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.638 2.225 . . . . 0.0 112.343 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.758 HG21 ' HB3' ' A' ' 23' ' ' MET . 20.3 t -152.03 140.55 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.167 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 70.7 m -93.7 160.81 14.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -57.35 -53.76 54.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -49.11 -31.68 8.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.578 ' O ' HG22 ' A' ' 33' ' ' THR . 24.3 tt0 -78.88 -69.92 0.54 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.488 ' HB2' ' HD3' ' A' ' 46' ' ' ARG . . . -35.42 -36.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 36' ' ' GLN . 11.3 mt-30 -70.51 -46.66 63.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.961 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.578 HG22 ' O ' ' A' ' 30' ' ' GLU . 1.2 t -61.32 -23.31 65.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.172 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -83.18 -32.66 26.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.453 HD21 ' HB2' ' A' ' 109' ' ' ALA . 13.6 mt -106.25 5.39 29.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 32' ' ' GLN . 2.6 tp-100 -82.83 116.53 22.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.22 -3.33 72.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.509 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -72.88 166.96 21.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.855 0.36 . . . . 0.0 110.869 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.41 HH11 ' HE1' ' A' ' 42' ' ' MET . 0.0 OUTLIER -64.62 158.63 23.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.906 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 63.1 m170 -75.63 120.19 20.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 135.81 -21.98 3.51 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.474 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.41 ' HE1' HH11 ' A' ' 39' ' ' ARG . 26.9 ttm -66.18 152.19 45.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.83 0.348 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.527 ' HB2' HD21 ' A' ' 57' ' ' LEU . 9.3 p90 -159.2 171.23 20.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.776 HD13 ' HG3' ' A' ' 23' ' ' MET . 4.2 pp -174.05 150.11 1.55 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' A' ' 23' ' ' MET . 21.8 t -120.28 119.86 61.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.488 ' HD3' ' HB2' ' A' ' 31' ' ' ALA . 13.8 ptt85 -125.66 173.17 9.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -71.16 120.77 17.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.1 t -62.94 136.85 58.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 m -93.2 -45.36 7.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.856 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.3 p -42.83 -52.09 5.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.176 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 51.8 m -138.07 141.43 32.22 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.6 0.714 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 138.57 38.19 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.677 2.251 . . . . 0.0 112.351 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.9 -53.24 1.08 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -62.65 158.45 18.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.819 0.342 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -117.97 167.41 11.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 87.4 t -134.99 108.25 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.177 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.713 ' HB2' HD11 ' A' ' 70' ' ' ILE . 3.4 tt -87.71 99.23 11.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.5 m -81.4 118.7 22.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.65 HG23 ' CD2' ' A' ' 57' ' ' LEU . 1.3 t -116.79 156.67 17.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.476 ' N ' ' CG1' ' A' ' 59' ' ' VAL . 12.5 t -106.73 105.84 16.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.852 ' CG ' HG22 ' A' ' 102' ' ' THR . 1.7 tm-20 -154.94 145.49 22.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.499 ' ND2' ' OE2' ' A' ' 61' ' ' GLU . 75.3 m-20 62.52 51.45 3.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.7 p 43.59 30.67 0.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -155.41 166.14 34.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.9 t -92.23 106.7 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.534 ' HB3' ' CZ ' ' A' ' 68' ' ' TYR . 8.6 m -79.21 93.84 5.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -70.76 105.68 3.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.774 ' CE2' HD13 ' A' ' 100' ' ' LEU . 28.2 m-85 -99.24 93.62 6.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 69.8 mt -62.51 142.53 16.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.098 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.713 HD11 ' HB2' ' A' ' 57' ' ' LEU . 4.1 mp -117.55 113.83 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.093 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -75.31 134.43 41.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.7 t -88.5 121.28 30.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 24.4 mt -93.68 147.97 34.55 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.611 0.72 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -19.88 35.54 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.673 2.249 . . . . 0.0 112.369 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -84.68 28.84 0.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 56.01 46.52 21.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 66.0 mtp180 -144.63 155.72 43.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.459 ' CE2' ' CD2' ' A' ' 88' ' ' LEU . 96.0 m-85 -103.08 150.55 23.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -132.8 102.65 5.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.0 tt -87.28 104.42 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.33 -101.52 0.83 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.495 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -118.94 17.38 13.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.745 0.307 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -122.43 163.8 19.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -139.77 152.35 46.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.569 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 97.1 m-85 -141.64 -177.03 4.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -83.91 -28.98 27.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 1.005 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 3.3 p80 -175.62 -175.51 0.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.823 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.488 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 3.4 mm? -56.91 -60.31 9.88 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.606 0.717 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.6 Cg_endo -69.71 9.1 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.654 2.236 . . . . 0.0 112.353 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 1.005 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -106.05 -22.82 12.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.569 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.0 pp -97.83 -40.87 8.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.413 ' N ' HD12 ' A' ' 91' ' ' LEU . 11.0 mt -60.77 -35.85 77.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -72.3 -24.95 61.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -83.44 -28.63 28.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.503 ' CE1' HD23 ' A' ' 100' ' ' LEU . 11.1 m-85 -79.94 -18.82 49.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.93 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -53.06 -17.27 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.452 HG13 ' N ' ' A' ' 98' ' ' HIS . 45.9 pt -114.24 -33.83 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.452 ' N ' HG13 ' A' ' 97' ' ' ILE . 3.7 m-70 -85.01 155.89 21.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.526 ' CD2' HG23 ' A' ' 104' ' ' THR . 3.2 m-85 -108.51 120.32 42.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.774 HD13 ' CE2' ' A' ' 68' ' ' TYR . 6.7 mt -62.57 -72.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.941 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.03 -69.24 0.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.852 HG22 ' CG ' ' A' ' 61' ' ' GLU . 1.3 t -130.77 3.17 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.156 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 14.2 t -156.08 174.02 15.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.526 HG23 ' CD2' ' A' ' 99' ' ' TYR . 12.1 p -113.3 176.64 4.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 78.5 mt -83.93 112.36 20.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 23.1 mm -91.68 -70.65 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -144.46 148.64 41.24 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.568 0.699 . . . . 0.0 110.913 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.401 ' HD3' ' CG ' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.81 134.78 28.71 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.672 2.248 . . . . 0.0 112.328 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.453 ' HB2' HD21 ' A' ' 35' ' ' LEU . . . -41.73 153.94 0.26 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.659 0.743 . . . . 0.0 111.062 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 150.72 68.4 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.658 2.238 . . . . 0.0 112.319 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.958 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -127.81 89.35 2.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 110.872 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.3 t -139.97 140.79 36.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.01 -102.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.4 t -105.02 116.72 32.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.888 0.375 . . . . 0.0 110.911 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.0 p -39.12 -46.01 1.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.59 -149.47 20.59 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 82.4 mmm -132.19 101.03 5.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.758 0.313 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.4 p -169.73 170.64 7.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.7 m -122.48 -55.24 1.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.19 87.75 3.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.119 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -119.97 91.99 3.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -141.86 168.22 20.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -98.86 90.14 4.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.495 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 62.6 p -52.4 -27.86 17.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.87 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 82.8 p -75.85 -41.04 53.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.791 ' OD2' ' HB2' ' A' ' 20' ' ' ALA . 17.0 t70 -64.52 92.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.591 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 19.6 mtm180 -62.74 -34.86 78.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.4 t -70.23 1.16 5.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.791 ' HB2' ' OD2' ' A' ' 17' ' ' ASP . . . -109.01 -26.8 10.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.595 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 58.3 p-90 -128.65 -43.83 1.38 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.518 ' HH ' ' HE1' ' A' ' 55' ' ' TYR . 27.8 t80 -66.64 113.62 4.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.747 ' HB3' HG21 ' A' ' 26' ' ' VAL . 6.5 mmt -94.54 -4.9 47.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.517 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 28.05 -91.2 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.436 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.521 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.9 Cg_endo -69.74 79.04 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.664 2.242 . . . . 0.0 112.365 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.747 HG21 ' HB3' ' A' ' 23' ' ' MET . 12.7 t -151.56 129.66 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.8 m -77.89 157.67 29.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 28' ' ' ARG . 15.3 ttp-105 -57.57 -52.84 63.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -51.4 -34.36 34.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.883 ' O ' HG22 ' A' ' 33' ' ' THR . 10.1 tt0 -71.4 -65.01 0.81 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.625 ' HB1' HD21 ' A' ' 44' ' ' LEU . . . -40.35 -33.42 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.516 ' HA ' HG21 ' A' ' 65' ' ' VAL . 10.7 mt-30 -66.9 -47.91 70.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.883 HG22 ' O ' ' A' ' 30' ' ' GLU . 11.0 t -62.2 -24.85 67.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -80.98 -31.49 34.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.457 ' CD2' ' HG2' ' A' ' 42' ' ' MET . 25.0 mt -111.03 11.36 22.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 32' ' ' GLN . 2.9 tp-100 -87.56 113.08 22.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.87 -26.69 4.12 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.486 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -48.37 163.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.338 . . . . 0.0 110.919 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.55 151.24 8.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.457 ' CG ' ' OE1' ' A' ' 61' ' ' GLU . 40.3 m170 -68.8 126.4 29.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 127.24 -38.1 2.22 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.47 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.457 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 30.8 ttm -41.63 154.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.835 0.35 . . . . 0.0 110.847 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -160.65 169.25 23.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.753 HD12 ' C ' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -170.3 146.35 2.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.44 HG22 HD23 ' A' ' 57' ' ' LEU . 20.9 t -120.3 110.26 28.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.408 ' NH1' ' O ' ' A' ' 26' ' ' VAL . 13.6 ptt85 -112.55 -178.4 3.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -86.71 116.52 24.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.427 ' HB2' HG23 ' A' ' 56' ' ' VAL . 8.2 t -58.82 154.04 15.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.5 t -114.85 -49.15 2.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 41.6 p -60.87 -50.81 71.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.153 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 73.7 m -87.95 140.29 31.02 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.61 0.719 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 53' ' ' GLY . 53.8 Cg_endo -69.8 139.01 39.02 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.632 2.222 . . . . 0.0 112.351 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 52' ' ' PRO . . . 33.68 46.15 0.4 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.469 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.421 ' O ' ' CB ' ' A' ' 48' ' ' SER . 20.4 m-20 -123.21 160.08 27.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 110.86 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.518 ' HE1' ' HH ' ' A' ' 22' ' ' TYR . 23.3 m-85 -112.45 166.81 10.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.427 HG23 ' HB2' ' A' ' 48' ' ' SER . 96.5 t -140.38 106.98 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.825 HD13 ' O ' ' A' ' 57' ' ' LEU . 1.5 tm? -87.2 105.29 17.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 65.4 m -97.35 149.8 21.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.647 HG22 ' HB2' ' A' ' 66' ' ' SER . 1.4 m -144.16 158.34 15.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.4 t -99.17 104.81 16.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.822 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.457 ' OE1' ' CG ' ' A' ' 40' ' ' HIS . 12.1 tp10 -157.78 161.03 38.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 39.0 m-20 56.33 29.79 15.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.932 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.6 m 62.5 25.01 14.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -152.48 -175.37 5.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.516 HG21 ' HA ' ' A' ' 32' ' ' GLN . 39.6 t -110.76 112.06 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.647 ' HB2' HG22 ' A' ' 59' ' ' VAL . 24.8 m -83.82 101.27 11.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -82.38 100.14 9.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -97.26 103.6 15.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.962 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 99.0 mt -69.61 141.09 17.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.126 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.426 ' CG2' ' HB3' ' A' ' 78' ' ' PHE . 4.5 mp -112.82 113.34 43.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.175 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -76.7 130.78 38.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.9 t -81.75 119.81 24.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.661 HD21 ' HB2' ' A' ' 79' ' ' LYS . 22.8 mt -89.38 149.95 43.7 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.619 0.723 . . . . 0.0 110.893 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -23.8 30.51 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.725 2.283 . . . . 0.0 112.32 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -83.03 43.32 0.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 76' ' ' ARG . 5.2 mmm180 43.96 43.5 5.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 43.5 mtt85 -141.24 163.57 32.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.426 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 25.9 m-85 -112.22 153.54 26.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.661 ' HB2' HD21 ' A' ' 73' ' ' LEU . 47.3 tttt -132.71 103.37 6.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.4 tt -94.67 103.14 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.101 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 76.39 -109.13 2.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.48 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -117.86 24.89 10.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.749 0.309 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 51.2 mm-40 -131.46 170.43 14.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -142.03 147.28 36.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.576 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 96.7 m-85 -138.03 170.32 16.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.861 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.31 -33.12 75.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 1.02 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 3.2 p80 -173.31 -175.0 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.834 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.499 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 9.0 mt -57.54 -60.05 11.04 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.645 0.736 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.7 Cg_endo -69.71 11.13 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.709 2.273 . . . . 0.0 112.362 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 1.02 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -110.2 -21.64 12.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.576 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.4 pp -91.31 -40.79 11.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.447 ' N ' HD12 ' A' ' 91' ' ' LEU . 16.3 mt -59.56 -33.29 71.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -74.4 -24.94 59.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -83.01 -26.83 30.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -78.47 -22.45 47.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -51.09 -18.22 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 45.4 pt -117.66 -33.75 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -88.35 137.54 32.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.614 ' CD2' HG23 ' A' ' 104' ' ' THR . 2.2 m-85 -91.51 115.98 28.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.963 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.565 ' H ' HD12 ' A' ' 100' ' ' LEU . 3.4 mp -53.74 -69.6 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -114.27 -69.08 0.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.5 t -130.12 -1.34 4.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.142 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.4 t -150.19 177.29 10.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.614 HG23 ' CD2' ' A' ' 99' ' ' TYR . 77.2 p -118.91 -179.2 3.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.5 mt -88.01 119.41 28.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 21.0 mm -94.06 -67.74 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -149.14 145.09 18.79 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.613 0.72 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 138.58 38.16 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.68 2.253 . . . . 0.0 112.387 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.482 ' HB1' ' HD2' ' A' ' 110' ' ' PRO . . . -57.21 157.4 12.2 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.57 0.7 . . . . 0.0 111.109 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.482 ' HD2' ' HB1' ' A' ' 109' ' ' ALA . 53.8 Cg_endo -69.72 147.23 62.63 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.669 2.246 . . . . 0.0 112.395 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.9 m -104.68 163.05 12.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.899 0.381 . . . . 0.0 110.859 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.1 m -124.87 171.63 10.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.823 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.8 91.29 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.471 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.9 p -132.61 149.44 52.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.863 0.363 . . . . 0.0 110.838 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 m -154.6 147.62 24.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.63 119.58 1.0 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.483 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.3 ttt -107.34 -59.57 1.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.831 0.348 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.6 m -83.41 123.18 29.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.2 m -55.59 -54.27 46.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.95 99.92 3.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.059 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -128.8 90.27 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.578 ' CZ ' ' HE3' ' A' ' 96' ' ' LYS . 54.0 p90 -155.4 148.67 24.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -80.13 97.72 6.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.496 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 9.4 t -61.62 -18.1 58.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.4 t -78.08 -35.52 49.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.595 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 35.5 t0 -68.72 95.67 0.68 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.585 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 13.4 mtm180 -63.59 -37.68 88.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.3 t -67.68 -2.54 7.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -103.99 -28.43 11.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.061 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.595 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 55.7 p-90 -128.15 -44.46 1.43 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.51 ' N ' ' O ' ' A' ' 18' ' ' ARG . 8.3 t80 -62.53 102.65 0.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.95 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.726 ' HB3' HG21 ' A' ' 26' ' ' VAL . 4.6 mmt -81.68 -9.32 59.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.504 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 28.68 -91.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.482 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.513 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.3 Cg_endo -69.83 78.73 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.636 2.224 . . . . 0.0 112.328 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.726 HG21 ' HB3' ' A' ' 23' ' ' MET . 5.3 t -149.83 146.03 17.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.4 m -98.01 145.86 26.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.1 ttt-85 -47.47 -52.17 18.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -48.26 -32.66 7.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 32' ' ' GLN . 11.9 tt0 -76.03 -68.76 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.433 ' CB ' ' HD3' ' A' ' 46' ' ' ARG . . . -36.9 -28.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.077 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' A' ' 30' ' ' GLU . 8.3 mt-30 -71.5 -53.02 15.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.2 t -62.21 -21.05 64.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.173 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -79.59 -33.77 41.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.6 mt -109.75 3.95 21.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' GLN . 4.1 tp60 -80.49 106.73 12.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.86 8.86 75.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -85.97 163.0 18.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.818 0.342 . . . . 0.0 110.897 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.37 149.51 24.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 39.0 m170 -68.08 117.55 10.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 138.59 -27.27 2.73 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.42 ' HG2' ' HB2' ' A' ' 109' ' ' ALA . 24.9 ttm -58.22 153.87 14.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.476 ' HB2' HD21 ' A' ' 57' ' ' LEU . 6.3 p90 -160.93 171.18 19.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.483 ' O ' HD12 ' A' ' 44' ' ' LEU . 4.6 pp -174.64 146.24 0.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.2 t -115.96 113.22 42.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.527 HH12 HG11 ' A' ' 56' ' ' VAL . 0.2 OUTLIER -114.43 174.6 5.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.919 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.31 119.51 20.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 22.9 t -50.94 146.33 6.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.3 m -109.71 -50.5 2.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.69 -2.8 12.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 45.7 m -146.78 127.21 6.94 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.599 0.714 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 117.67 5.23 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.676 2.251 . . . . 0.0 112.318 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.44 -51.72 2.09 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.507 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.469 ' O ' ' CB ' ' A' ' 48' ' ' SER . 1.8 m-20 -43.83 166.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -122.92 167.85 13.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.527 HG11 HH12 ' A' ' 46' ' ' ARG . 61.5 t -137.4 113.08 11.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.159 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.745 ' HB2' HD11 ' A' ' 70' ' ' ILE . 3.0 tt -92.84 94.27 8.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.972 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.4 m -77.38 116.81 18.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.647 HG23 ' CD2' ' A' ' 57' ' ' LEU . 1.0 OUTLIER -116.33 151.51 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.11 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.8 t -97.31 118.39 33.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.665 ' CG ' HG22 ' A' ' 102' ' ' THR . 7.2 tp10 -166.32 143.02 5.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 59.21 50.82 7.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.3 t 42.52 32.19 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.1 ptt-85 -146.99 176.4 9.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.408 HG21 ' HA ' ' A' ' 32' ' ' GLN . 6.5 t -103.83 98.2 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 68' ' ' TYR . 20.1 m -73.72 90.89 1.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 -75.42 108.01 7.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.594 ' HB3' HD11 ' A' ' 80' ' ' ILE . 32.6 m-85 -100.0 95.28 6.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.984 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 69.1 mt -61.27 144.9 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.745 HD11 ' HB2' ' A' ' 57' ' ' LEU . 5.2 mp -114.58 119.55 61.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.15 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -82.08 122.13 27.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.4 t -81.57 107.55 14.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.829 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 55.8 mt -79.83 143.94 59.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.58 0.705 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -13.41 34.7 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 41.8 p-10 -85.31 27.98 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 60.41 37.15 20.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -143.01 167.25 22.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.418 ' CD1' ' N ' ' A' ' 78' ' ' PHE . 4.0 m-85 -113.25 166.71 11.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -148.98 105.49 3.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.594 HD11 ' HB3' ' A' ' 68' ' ' TYR . 4.7 tt -91.07 105.34 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.18 -105.72 2.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.523 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -119.18 15.39 13.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.761 0.315 . . . . 0.0 110.852 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -121.07 157.7 29.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -127.05 149.25 50.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.602 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 95.8 m-85 -138.83 171.92 13.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -71.72 -30.37 65.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 1.01 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 3.0 p80 -175.5 -175.01 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.498 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 8.8 mt -57.09 -59.83 11.48 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.644 0.735 . . . . 0.0 110.964 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.8 Cg_endo -69.76 10.48 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.651 2.234 . . . . 0.0 112.341 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 1.01 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -110.15 -19.16 13.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.081 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.602 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.2 pp -93.96 -40.73 9.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 28.5 mt -62.35 -44.41 96.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 94' ' ' PHE . 6.9 pt-20 -62.17 -27.95 69.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.411 ' N ' ' HG3' ' A' ' 93' ' ' GLU . 27.4 t80 -80.29 -34.95 36.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.673 ' CE1' HD23 ' A' ' 100' ' ' LEU . 26.5 m-85 -77.03 -9.0 58.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.578 ' HE3' ' CZ ' ' A' ' 13' ' ' PHE . 56.7 mttt -58.71 -21.29 54.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.889 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.493 HG13 ' CD2' ' A' ' 98' ' ' HIS . 38.7 pt -113.12 -35.79 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.493 ' CD2' HG13 ' A' ' 97' ' ' ILE . 45.9 m170 -90.08 132.0 35.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.724 ' CD2' HG23 ' A' ' 104' ' ' THR . 6.4 m-85 -82.0 114.9 20.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.952 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.673 HD23 ' CE1' ' A' ' 95' ' ' TYR . 6.6 mt -46.63 -70.2 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -111.12 -64.59 1.26 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.665 HG22 ' CG ' ' A' ' 61' ' ' GLU . 2.8 t -133.82 -0.29 3.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.6 t -151.24 171.28 17.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.724 HG23 ' CD2' ' A' ' 99' ' ' TYR . 2.0 p -107.21 -179.8 4.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.407 HD21 HD11 ' A' ' 100' ' ' LEU . 97.7 mt -92.61 106.61 18.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 22.7 mm -78.87 -67.19 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -155.54 151.91 23.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.659 0.742 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.404 ' HA ' ' O ' ' A' ' 43' ' ' PHE . 54.1 Cg_endo -69.71 143.89 52.53 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.42 ' HB2' ' HG2' ' A' ' 42' ' ' MET . . . -65.14 150.05 96.02 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.582 0.706 . . . . 0.0 111.098 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 147.54 63.76 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.383 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.409 ' CD ' ' H ' ' A' ' 111' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.837 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.7 p -168.88 138.85 2.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.861 0.363 . . . . 0.0 110.857 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.9 t -138.0 159.19 42.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.49 88.73 1.43 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.1 p -49.44 166.57 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.874 0.369 . . . . 0.0 110.873 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 7' ' ' GLY . 45.9 t -97.54 -61.96 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 37.53 -105.82 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.496 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.17 -47.6 9.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.76 0.314 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.9 t -48.69 164.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.831 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 52.3 p -95.18 -178.99 4.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.813 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -41.14 99.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.7 mmm-85 -131.78 94.27 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -156.97 -176.49 6.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -113.55 89.21 3.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.492 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 58.6 m -56.49 -24.87 49.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.816 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 m -74.81 -38.76 62.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.596 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 16.5 t70 -72.8 110.45 7.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.584 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 5.7 mtm-85 -70.14 -36.01 74.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.3 t -66.31 -3.57 6.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -101.67 -28.64 12.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.121 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.596 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 49.4 p-90 -128.96 -44.97 1.28 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.943 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.518 ' N ' ' CE3' ' A' ' 21' ' ' TRP . 7.8 t80 -54.17 122.05 9.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.698 ' HG3' HD13 ' A' ' 44' ' ' LEU . 7.9 mmt -103.23 -4.08 24.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.51 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 29.01 -91.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.512 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.8 Cg_endo -69.81 78.99 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.697 HG21 ' HB3' ' A' ' 23' ' ' MET . 39.3 t -156.93 135.98 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.0 m -97.52 174.8 6.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -62.94 -47.17 84.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -55.58 -35.89 66.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.946 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.832 ' O ' HG22 ' A' ' 33' ' ' THR . 15.0 tt0 -75.31 -65.16 0.92 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.83 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.772 ' HB2' ' HD3' ' A' ' 46' ' ' ARG . . . -39.99 -29.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.075 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.5 ' O ' ' N ' ' A' ' 36' ' ' GLN . 8.4 mt-30 -71.16 -49.69 41.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.832 HG22 ' O ' ' A' ' 30' ' ' GLU . 12.0 t -59.13 -24.89 63.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.417 ' NH1' ' HB3' ' A' ' 34' ' ' ARG . 1.5 mtp-105 -81.13 -33.54 33.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.469 ' HB2' HG22 ' A' ' 65' ' ' VAL . 24.2 mt -108.32 9.39 27.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 32' ' ' GLN . 2.5 tp60 -88.62 106.27 18.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.16 -9.96 76.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.494 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -68.83 162.71 25.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 -61.06 145.29 51.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 38.1 m170 -58.09 139.22 55.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 42' ' ' MET . . . 116.16 -47.62 1.02 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.462 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 41' ' ' GLY . 31.3 ttm -37.05 152.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.337 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.617 ' HB2' HG12 ' A' ' 59' ' ' VAL . 9.9 p90 -157.24 168.57 27.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.698 HD13 ' HG3' ' A' ' 23' ' ' MET . 3.2 pp -169.93 142.83 2.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.6 t -117.45 108.71 25.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.772 ' HD3' ' HB2' ' A' ' 31' ' ' ALA . 13.0 ptt85 -110.94 163.87 13.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -67.22 118.16 10.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.6 t -50.93 159.23 0.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.4 t -110.85 -40.86 4.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.2 p -43.29 -36.37 1.81 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.2 m -165.46 147.31 6.33 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.553 0.692 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 119.49 6.43 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.704 2.269 . . . . 0.0 112.33 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 126.9 -53.67 0.79 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.477 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -64.97 157.1 29.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.853 0.358 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -119.1 171.49 8.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 86.8 t -145.5 111.16 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.766 HD13 ' C ' ' A' ' 57' ' ' LEU . 1.4 tm? -92.41 112.75 24.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.955 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.428 ' HB3' ' CG1' ' A' ' 65' ' ' VAL . 17.6 m -107.23 141.08 39.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.617 HG12 ' HB2' ' A' ' 43' ' ' PHE . 12.3 m -137.1 163.88 31.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.125 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.3 t -92.97 98.2 11.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.944 ' CD ' HG22 ' A' ' 102' ' ' THR . 16.4 tt0 -148.6 152.87 37.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 57.1 53.28 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.4 t 41.75 30.51 0.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.1 ptt180 -159.49 -175.66 5.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.469 HG22 ' HB2' ' A' ' 35' ' ' LEU . 49.2 t -105.68 105.44 18.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.44 ' HB3' ' CZ ' ' A' ' 68' ' ' TYR . 15.5 m -73.44 99.98 3.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -80.41 104.51 11.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.852 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.44 ' CZ ' ' HB3' ' A' ' 66' ' ' SER . 27.3 m-85 -102.64 109.05 20.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 87.4 mt -74.33 145.05 11.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.115 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.5 mp -116.1 113.16 42.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -75.24 132.73 41.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.3 t -90.96 120.27 31.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.5 mt -91.13 151.66 43.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.589 0.709 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -21.23 33.68 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.656 2.237 . . . . 0.0 112.319 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -84.94 44.32 1.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 62.3 mtt-85 41.93 45.53 3.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 22.3 mtt85 -145.07 151.27 38.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -102.06 165.98 10.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -145.62 109.26 4.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.528 ' O ' HG23 ' A' ' 80' ' ' ILE . 7.9 tt -97.99 99.11 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.47 -103.83 2.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.448 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -119.9 21.52 11.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.801 0.334 . . . . 0.0 110.856 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -131.99 167.12 20.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -138.42 158.56 44.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.604 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 93.9 m-85 -146.3 170.09 17.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.61 -35.91 81.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 1.048 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 3.8 p80 -167.88 -175.77 2.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.508 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 9.3 mt -58.52 -59.67 12.8 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.601 0.715 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.9 Cg_endo -69.76 12.57 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.651 2.234 . . . . 0.0 112.352 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 1.048 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -110.45 -24.13 10.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.604 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.5 pp -88.71 -41.57 12.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.433 ' N ' HD12 ' A' ' 91' ' ' LEU . 7.1 mt -56.29 -40.61 74.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.954 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.485 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 6.0 mt-10 -66.15 -27.38 67.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -80.96 -19.29 44.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.555 ' CE1' HD23 ' A' ' 100' ' ' LEU . 6.4 m-85 -92.0 -23.53 19.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.907 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.485 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 16.9 mtpt -48.51 -20.41 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.897 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 48.7 pt -114.28 -30.91 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.14 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.436 ' O ' HG22 ' A' ' 104' ' ' THR . 3.8 m-70 -88.47 149.95 23.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.596 ' CD2' HG23 ' A' ' 104' ' ' THR . 19.0 m-85 -99.8 113.75 26.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.555 HD23 ' CE1' ' A' ' 95' ' ' TYR . 7.7 mt -54.18 -65.78 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.951 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.42 ' CB ' ' OE2' ' A' ' 61' ' ' GLU . 6.2 m-20 -118.89 -63.91 1.34 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.944 HG22 ' CD ' ' A' ' 61' ' ' GLU . 7.6 t -134.51 -0.61 2.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 10.5 t -150.56 179.12 8.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.15 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.596 HG23 ' CD2' ' A' ' 99' ' ' TYR . 60.7 p -116.15 -175.4 2.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.415 HD12 ' HB2' ' A' ' 95' ' ' TYR . 91.5 mt -95.87 104.37 16.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 14.4 mm -81.41 -72.31 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -149.99 146.91 21.05 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.638 0.732 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 152.34 69.35 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.694 2.262 . . . . 0.0 112.354 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.55 149.32 95.54 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.575 0.702 . . . . 0.0 111.042 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 147.69 63.42 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.339 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 2.7 mtp-105 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 t -154.89 163.36 40.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.865 0.364 . . . . 0.0 110.846 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.3 m -136.66 166.73 22.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.812 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.63 101.59 0.39 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.49 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -97.37 116.65 29.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.895 0.379 . . . . 0.0 110.854 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -81.81 159.7 23.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.04 71.36 0.44 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.445 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 49.8 ttp -62.37 -63.41 1.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.828 0.346 . . . . 0.0 110.862 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -97.82 131.4 44.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.8 m -48.77 -51.83 27.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.829 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.93 89.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.107 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -128.46 93.42 3.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -157.32 146.06 19.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.822 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -77.35 105.79 8.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.473 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 36.6 p -64.86 -24.78 67.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 m -77.69 -31.59 52.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.878 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.472 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 11.6 t0 -69.1 96.56 0.81 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.584 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 6.0 mtm-85 -64.14 -38.27 90.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.497 ' O ' ' NE ' ' A' ' 111' ' ' ARG . 3.3 t -65.69 -4.32 6.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.08 -32.69 10.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.097 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.584 ' CZ2' ' HG3' ' A' ' 18' ' ' ARG . 54.3 p-90 -123.54 -45.17 2.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.541 ' N ' ' CE3' ' A' ' 21' ' ' TRP . 5.5 t80 -55.24 132.02 46.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.713 ' HB3' HG21 ' A' ' 26' ' ' VAL . 13.4 mmt -119.69 -9.95 9.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.49 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 30.83 -91.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.45 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.518 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.7 Cg_endo -69.73 79.4 0.94 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.645 2.23 . . . . 0.0 112.327 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.713 HG21 ' HB3' ' A' ' 23' ' ' MET . 46.3 t -155.4 131.19 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 61.5 p -85.08 160.41 19.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.416 ' HB2' ' NH2' ' A' ' 46' ' ' ARG . 45.5 ttm-85 -57.82 -54.23 49.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -46.08 -40.73 11.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.726 ' O ' HG22 ' A' ' 33' ' ' THR . 12.6 tt0 -67.04 -66.31 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.482 ' HB1' HD11 ' A' ' 44' ' ' LEU . . . -42.31 -33.33 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 36' ' ' GLN . 23.9 mt-30 -71.41 -44.33 65.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.726 HG22 ' O ' ' A' ' 30' ' ' GLU . 1.4 t -62.47 -22.38 66.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.688 HH21 HD22 ' A' ' 44' ' ' LEU . 6.3 mtm180 -85.16 -33.05 22.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.8 mt -105.63 5.39 31.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 32' ' ' GLN . 3.0 tp-100 -82.86 107.78 15.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.52 14.56 79.83 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.526 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.403 ' CG ' ' O ' ' A' ' 34' ' ' ARG . 12.7 mm100 -90.73 173.51 7.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.347 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -65.25 128.95 37.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 58.1 m170 -51.74 127.2 20.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 129.84 -35.24 2.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.458 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.637 ' HG2' ' HB2' ' A' ' 109' ' ' ALA . 21.4 ttm -51.71 148.55 5.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.748 0.309 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.697 ' HB2' HD21 ' A' ' 57' ' ' LEU . 6.5 p90 -154.29 165.62 35.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.834 ' O ' HD12 ' A' ' 44' ' ' LEU . 3.4 pp -170.94 132.13 0.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.2 t -100.77 126.76 54.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.479 HH12 HG11 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -131.56 157.09 44.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -62.52 125.12 22.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.4 t -51.5 -178.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.7 t -127.11 -57.07 1.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.827 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.0 p -104.64 28.92 6.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.7 m -130.57 136.27 28.69 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.612 0.72 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.464 ' O ' ' C ' ' A' ' 53' ' ' GLY . 53.9 Cg_endo -69.74 124.75 11.4 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.714 2.276 . . . . 0.0 112.365 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 52' ' ' PRO . . . 33.08 53.47 0.53 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.499 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -123.41 178.02 5.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -134.98 171.17 14.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.479 HG11 HH12 ' A' ' 46' ' ' ARG . 94.6 t -139.91 117.83 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.174 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.758 ' CD2' HG23 ' A' ' 59' ' ' VAL . 5.3 tt -96.95 95.74 8.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.7 m -78.1 111.62 14.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.758 HG23 ' CD2' ' A' ' 57' ' ' LEU . 1.0 OUTLIER -112.76 151.27 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.103 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 t -97.36 97.42 9.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.84 ' CD ' HG22 ' A' ' 102' ' ' THR . 8.9 tt0 -144.15 145.85 32.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.836 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.9 m120 60.53 53.88 3.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 m 40.77 33.14 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -154.68 176.84 11.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.1 t -98.78 98.26 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.484 ' HB3' ' CZ ' ' A' ' 68' ' ' TYR . 14.1 m -74.75 91.21 2.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -73.15 107.49 5.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.709 ' CE2' HD13 ' A' ' 100' ' ' LEU . 36.7 m-85 -98.8 94.97 6.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 77.9 mt -62.39 142.28 16.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.148 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.633 HD11 ' HB2' ' A' ' 57' ' ' LEU . 5.3 mp -116.16 109.11 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -69.27 142.92 54.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.9 t -96.17 105.45 17.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.432 HD12 ' HB3' ' A' ' 77' ' ' ARG . 52.5 mt -71.68 146.54 91.16 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.668 0.746 . . . . 0.0 110.887 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -22.9 31.53 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.69 2.26 . . . . 0.0 112.337 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.516 ' H ' ' ND2' ' A' ' 75' ' ' ASN . 1.6 p30 -86.39 46.49 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 44.77 48.2 8.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.468 ' CD ' ' O ' ' A' ' 75' ' ' ASN . 6.6 mpt_? -145.99 169.95 17.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -119.57 159.37 24.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -142.24 112.21 6.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.596 HG21 ' HE2' ' A' ' 95' ' ' TYR . 4.0 tt -96.71 100.17 10.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.7 -104.62 2.1 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.04 20.32 12.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.781 0.324 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -129.11 157.95 40.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -131.25 153.45 49.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.59 ' CD2' ' HB2' ' A' ' 91' ' ' LEU . 98.1 m-85 -141.38 174.99 10.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.06 -30.76 68.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 1.014 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 2.8 p80 -175.72 -174.99 0.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.5 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 8.8 mt -56.62 -60.0 10.6 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.623 0.725 . . . . 0.0 110.925 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.5 Cg_endo -69.76 9.31 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.68 2.253 . . . . 0.0 112.322 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 1.014 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -109.21 -19.81 13.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.073 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.59 ' HB2' ' CD2' ' A' ' 85' ' ' PHE . 3.0 pp -92.13 -40.5 11.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.2 mt -61.37 -39.23 89.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.425 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 7.1 pt-20 -66.67 -24.96 66.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -88.44 -14.33 38.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.596 ' HE2' HG21 ' A' ' 80' ' ' ILE . 3.0 m-85 -94.78 -20.55 19.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.425 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 30.3 mtpt -55.19 -21.18 12.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.453 HG13 ' N ' ' A' ' 98' ' ' HIS . 39.0 pt -110.4 -33.36 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.453 ' N ' HG13 ' A' ' 97' ' ' ILE . 3.8 m-70 -88.22 143.49 27.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.78 ' CD2' HG23 ' A' ' 104' ' ' THR . 7.2 m-85 -93.3 114.65 27.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.709 HD13 ' CE2' ' A' ' 68' ' ' TYR . 7.5 mt -49.84 -72.46 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -117.52 -65.28 1.2 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.84 HG22 ' CD ' ' A' ' 61' ' ' GLU . 7.0 t -127.37 -3.63 6.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.128 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.3 t -148.68 -175.61 5.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.78 HG23 ' CD2' ' A' ' 99' ' ' TYR . 80.9 p -124.41 179.08 5.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 96.7 mt -87.06 105.78 17.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 19.1 mm -80.49 -72.35 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.113 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -149.63 148.59 26.21 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.607 0.718 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 134.92 28.98 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.651 2.234 . . . . 0.0 112.328 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.637 ' HB2' ' HG2' ' A' ' 42' ' ' MET . . . -57.04 154.78 18.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.594 0.711 . . . . 0.0 111.102 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.403 ' HD2' ' HB1' ' A' ' 109' ' ' ALA . 53.8 Cg_endo -69.8 152.79 69.18 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.497 ' NE ' ' O ' ' A' ' 19' ' ' SER . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.249 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 m -115.71 150.15 37.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.908 0.385 . . . . 0.0 110.831 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.0 p -175.01 161.53 2.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.69 142.82 13.75 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.4 t -94.14 139.31 31.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.876 0.369 . . . . 0.0 110.828 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.3 p -87.84 137.51 32.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -44.77 160.06 0.13 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.477 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -113.53 -45.25 3.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.342 . . . . 0.0 110.84 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.1 m -135.51 173.99 11.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.811 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.4 t -75.24 172.45 12.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.844 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 57.99 41.05 24.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -95.19 100.13 11.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -160.55 176.11 11.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.08 133.67 43.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.418 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 88.5 p -95.99 -36.75 10.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.2 t -76.31 -37.29 57.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.599 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 27.1 t0 -64.49 91.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.597 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 5.2 mtm105 -63.08 -37.33 86.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.3 t -66.8 -3.14 6.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -102.67 -28.63 12.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.075 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 41.4 p-90 -127.46 -45.52 1.5 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.51 ' N ' ' O ' ' A' ' 18' ' ' ARG . 23.3 t80 -61.55 110.91 1.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.721 ' HB3' HG21 ' A' ' 26' ' ' VAL . 5.4 mmt -90.59 -3.4 57.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.938 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.503 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 28.65 -91.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.516 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.7 Cg_endo -69.79 78.88 0.99 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.33 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.721 HG21 ' HB3' ' A' ' 23' ' ' MET . 32.4 t -155.79 135.46 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.2 p -96.48 160.91 14.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -52.79 -54.16 38.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -44.47 -44.27 8.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.844 ' O ' HG22 ' A' ' 33' ' ' THR . 18.2 tt0 -70.93 -63.72 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.448 ' HB2' ' HD3' ' A' ' 46' ' ' ARG . . . -36.86 -39.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.552 ' HA ' HG21 ' A' ' 65' ' ' VAL . 13.1 mt-30 -61.22 -52.13 66.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.844 HG22 ' O ' ' A' ' 30' ' ' GLU . 6.2 t -60.08 -23.25 63.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.101 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -80.28 -30.38 38.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.551 ' CD2' ' HB2' ' A' ' 109' ' ' ALA . 13.7 mt -116.19 14.21 15.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 32' ' ' GLN . 4.3 tp60 -87.98 108.45 19.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.71 -28.09 9.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.461 ' HB3' ' HE3' ' A' ' 42' ' ' MET . 14.1 mm-40 -50.34 162.44 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.784 0.326 . . . . 0.0 110.927 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.63 158.07 4.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 44.4 m170 -71.99 126.84 30.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 128.57 -40.07 1.78 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.461 ' HE3' ' HB3' ' A' ' 38' ' ' GLN . 28.3 ttm -42.43 149.91 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.329 . . . . 0.0 110.868 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 108' ' ' PRO . 17.3 p90 -156.17 174.21 15.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.598 HD13 ' HG3' ' A' ' 23' ' ' MET . 3.6 pp -174.72 146.37 0.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.742 HG11 HD11 ' A' ' 88' ' ' LEU . 17.0 t -119.01 107.0 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.53 ' HD2' HG12 ' A' ' 26' ' ' VAL . 18.6 ptt-85 -108.57 172.4 6.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -78.03 120.87 23.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.434 ' HB2' HG23 ' A' ' 56' ' ' VAL . 46.5 t -59.1 117.03 4.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.9 t -76.32 -46.61 26.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.82 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -46.02 -47.29 16.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.101 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 87.6 m -142.6 136.62 14.65 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.601 0.715 . . . . 0.0 110.848 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 163.95 36.35 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.7 2.267 . . . . 0.0 112.315 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 76.91 -45.09 2.17 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.467 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.89 160.25 30.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.34 . . . . 0.0 110.847 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -122.89 172.62 8.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.434 HG23 ' HB2' ' A' ' 48' ' ' SER . 65.4 t -140.92 105.87 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.155 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.793 HD13 ' C ' ' A' ' 57' ' ' LEU . 1.5 tm? -90.71 113.34 25.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.6 m -103.26 154.46 19.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.513 HG22 ' HB2' ' A' ' 66' ' ' SER . 1.4 m -150.59 154.32 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.7 t -90.81 90.98 8.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.841 ' CD ' HG22 ' A' ' 102' ' ' THR . 22.4 tt0 -138.86 151.36 46.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.849 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.455 ' N ' ' HG2' ' A' ' 61' ' ' GLU . 27.3 m-80 58.96 39.81 23.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.862 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.5 t 54.34 28.41 9.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -153.21 179.65 8.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.552 HG21 ' HA ' ' A' ' 32' ' ' GLN . 47.6 t -105.83 98.81 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.513 ' HB2' HG22 ' A' ' 59' ' ' VAL . 3.8 m -70.51 104.8 2.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -84.13 101.27 11.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -97.76 107.79 20.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 88.2 mt -75.15 135.85 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.112 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.43 ' CG2' ' HB3' ' A' ' 78' ' ' PHE . 3.9 mp -102.9 103.44 15.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.164 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -66.35 131.72 46.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.3 t -84.7 116.56 23.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.583 HD21 ' HB2' ' A' ' 79' ' ' LYS . 28.8 mt -84.39 151.59 59.55 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.621 0.724 . . . . 0.0 110.945 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -20.62 34.7 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.257 . . . . 0.0 112.333 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -89.92 42.06 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 44.21 51.44 7.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.411 ' HB3' HD12 ' A' ' 73' ' ' LEU . 73.3 mtt180 -143.71 161.77 37.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.566 ' CE2' ' CD2' ' A' ' 88' ' ' LEU . 33.2 m-85 -106.43 157.78 17.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.837 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.583 ' HB2' HD21 ' A' ' 73' ' ' LEU . 11.3 tttp -142.28 105.95 4.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.529 ' O ' HG23 ' A' ' 80' ' ' ILE . 7.2 tt -96.9 101.59 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.69 -107.98 2.53 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.492 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -117.01 28.42 8.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.74 0.305 . . . . 0.0 110.842 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -136.88 162.59 32.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -135.26 145.73 47.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.603 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 98.9 m-85 -132.84 -176.4 4.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -87.79 -29.16 21.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 1.01 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 3.0 p80 -175.72 -174.94 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.742 HD11 HG11 ' A' ' 45' ' ' VAL . 3.5 mm? -56.71 -60.29 9.79 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.611 0.719 . . . . 0.0 110.873 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.7 Cg_endo -69.8 9.87 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.685 2.256 . . . . 0.0 112.34 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 1.01 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -108.78 -21.32 12.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.603 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.6 pp -98.55 -42.49 7.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.569 ' N ' HD12 ' A' ' 91' ' ' LEU . 28.4 mt -58.05 -36.19 72.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -72.64 -31.99 65.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -74.9 -22.17 58.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -82.3 -28.46 31.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -47.75 -19.85 0.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 46.0 pt -113.18 -31.07 2.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.114 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.416 ' O ' HG22 ' A' ' 104' ' ' THR . 4.7 m-70 -96.58 137.98 34.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.78 ' CD2' HG23 ' A' ' 104' ' ' THR . 7.5 m-85 -90.59 116.6 28.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.7 mp -49.42 -68.3 0.19 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -120.91 -65.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.841 HG22 ' CD ' ' A' ' 61' ' ' GLU . 12.9 t -129.49 -6.3 4.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 9.0 t -146.42 174.32 11.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.78 HG23 ' CD2' ' A' ' 99' ' ' TYR . 32.5 p -114.93 176.53 5.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 87.3 mt -83.57 117.15 22.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 44.4 mm -93.48 -69.03 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.92 150.7 26.59 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.658 0.742 . . . . 0.0 110.865 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' A' ' 43' ' ' PHE . 53.7 Cg_endo -69.74 133.94 26.82 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.729 2.286 . . . . 0.0 112.336 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.551 ' HB2' ' CD2' ' A' ' 35' ' ' LEU . . . -43.77 151.18 0.51 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.575 0.702 . . . . 0.0 111.114 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 153.69 68.85 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.686 2.257 . . . . 0.0 112.364 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 43.9 mmm-85 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -106.6 -51.61 2.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.908 0.385 . . . . 0.0 110.876 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 t -42.97 104.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.45 -144.8 6.28 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.528 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t -99.79 118.22 35.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.854 0.359 . . . . 0.0 110.879 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 t -119.13 41.71 3.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.3 81.84 0.16 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.9 tpp -80.38 -53.66 6.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.787 0.327 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.6 t -73.85 150.46 40.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 77.7 p -89.09 166.64 13.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 62.54 46.08 5.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.065 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -108.96 84.16 1.88 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -141.46 174.99 10.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -101.72 116.68 33.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.489 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 8.1 p -79.15 -31.27 43.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.3 m -72.01 -39.4 69.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.582 ' OD2' ' HB2' ' A' ' 20' ' ' ALA . 25.9 t70 -65.58 99.86 0.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.591 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 12.8 mtt85 -68.23 -35.9 78.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.3 t -66.03 -4.44 7.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.582 ' HB2' ' OD2' ' A' ' 17' ' ' ASP . . . -99.69 -33.8 10.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.077 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.591 ' CZ2' ' HG3' ' A' ' 18' ' ' ARG . 55.1 p-90 -121.77 -45.18 2.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.509 ' N ' ' O ' ' A' ' 18' ' ' ARG . 8.0 t80 -61.31 110.46 1.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.671 ' HB3' HG21 ' A' ' 26' ' ' VAL . 6.4 mmt -90.73 -3.2 57.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.509 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 29.2 -91.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.484 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.508 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.5 Cg_endo -69.79 78.84 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.646 2.231 . . . . 0.0 112.356 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.671 HG21 ' HB3' ' A' ' 23' ' ' MET . 41.0 t -157.61 128.23 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.1 p -87.72 178.41 6.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.447 ' NE ' ' OE1' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -69.82 -44.29 70.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 -179.881 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -57.1 -32.22 66.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.904 ' O ' HG22 ' A' ' 33' ' ' THR . 17.3 tt0 -80.52 -67.8 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.453 ' HB2' ' HD3' ' A' ' 46' ' ' ARG . . . -34.31 -40.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.516 ' HA ' HG11 ' A' ' 65' ' ' VAL . 11.6 mt-30 -60.19 -53.33 58.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.904 HG22 ' O ' ' A' ' 30' ' ' GLU . 10.4 t -56.84 -24.84 54.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -79.05 -31.8 44.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.492 HD21 HD23 ' A' ' 44' ' ' LEU . 6.3 mt -114.01 14.27 18.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 32' ' ' GLN . 2.8 tp-100 -84.91 108.05 17.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.44 -0.36 85.11 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.464 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -71.09 170.55 12.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.85 0.357 . . . . 0.0 110.856 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 39' ' ' ARG . 1.0 OUTLIER -57.99 145.95 34.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 47.0 m170 -69.43 119.73 14.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 131.91 -26.34 3.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.461 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 29.8 ttm -53.96 149.64 8.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.583 ' HB2' HD21 ' A' ' 57' ' ' LEU . 15.3 p90 -155.27 165.49 36.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.544 HD12 ' C ' ' A' ' 44' ' ' LEU . 4.4 pp -168.8 152.72 5.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 40.5 t -123.14 117.26 51.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.51 ' HD2' HG12 ' A' ' 26' ' ' VAL . 6.7 ptt85 -119.83 177.07 5.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -77.65 117.39 19.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.7 t -65.33 115.73 5.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 t -75.48 -44.03 46.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.796 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 51' ' ' CYS . 0.3 OUTLIER -44.26 -51.32 8.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.412 ' H ' HG23 ' A' ' 50' ' ' THR . 93.8 m -129.09 142.51 45.42 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.631 0.729 . . . . 0.0 110.864 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 140.01 41.64 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.71 2.273 . . . . 0.0 112.296 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.74 -46.39 3.46 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.508 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -56.93 161.4 2.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.827 0.346 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -131.5 165.9 22.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.8 t -138.49 110.77 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.103 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.705 HD21 HG23 ' A' ' 59' ' ' VAL . 5.7 tt -83.38 108.51 16.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.4 m -86.39 118.54 25.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.705 HG23 HD21 ' A' ' 57' ' ' LEU . 1.1 t -122.68 145.31 29.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.1 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.3 t -92.38 108.69 20.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.861 ' CD ' HG22 ' A' ' 102' ' ' THR . 19.8 tt0 -153.44 150.71 29.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 58.86 47.31 12.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 72.3 m 45.87 37.23 3.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.97 176.64 12.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.839 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.516 HG11 ' HA ' ' A' ' 32' ' ' GLN . 38.9 t -104.93 97.06 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 59' ' ' VAL . 18.6 m -69.87 148.55 48.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -124.4 91.74 3.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.645 ' CE2' HD13 ' A' ' 100' ' ' LEU . 38.8 m-85 -85.34 99.63 11.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 96.2 mt -67.52 142.92 15.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.518 HD11 ' HB2' ' A' ' 57' ' ' LEU . 4.0 mp -118.48 108.53 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -67.02 144.07 56.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.7 t -102.89 105.48 15.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.886 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.456 HD11 ' HB2' ' A' ' 79' ' ' LYS . 19.8 mt -79.58 142.84 58.09 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.628 0.728 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -1.92 9.28 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.656 2.237 . . . . 0.0 112.365 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -100.79 46.76 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? 42.18 43.49 2.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -147.93 160.5 42.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -113.47 157.3 22.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.456 ' HB2' HD11 ' A' ' 73' ' ' LEU . 28.4 tttt -138.23 105.38 5.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.405 HD11 ' HB3' ' A' ' 68' ' ' TYR . 2.3 tt -88.82 101.25 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 76.12 -103.79 1.74 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.527 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -119.62 18.05 12.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.765 0.317 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 -125.46 156.46 38.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -127.63 151.66 48.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.593 ' CD2' ' HB2' ' A' ' 91' ' ' LEU . 98.4 m-85 -141.32 167.16 22.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -64.13 -32.21 73.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 1.01 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 2.9 p80 -175.98 -174.99 0.69 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.497 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 8.7 mt -56.55 -60.11 10.2 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.623 0.725 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 54.0 Cg_endo -69.76 10.01 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.632 2.222 . . . . 0.0 112.378 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 1.01 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -110.04 -21.43 12.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.081 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.593 ' HB2' ' CD2' ' A' ' 85' ' ' PHE . 3.1 pp -89.51 -40.9 12.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.464 HD22 ' CE2' ' A' ' 43' ' ' PHE . 18.8 mt -60.77 -34.87 75.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.467 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 5.5 pt-20 -70.35 -24.63 63.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -85.92 -22.87 27.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.502 ' CE1' HD23 ' A' ' 100' ' ' LEU . 9.2 m-85 -84.31 -21.74 30.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.467 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 18.6 mtpt -53.91 -20.58 6.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.454 HG13 ' N ' ' A' ' 98' ' ' HIS . 41.0 pt -111.24 -34.08 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.454 ' N ' HG13 ' A' ' 97' ' ' ILE . 51.4 m170 -90.26 134.75 34.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.761 ' CD2' HG23 ' A' ' 104' ' ' THR . 27.3 m-85 -86.5 114.42 23.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.645 HD13 ' CE2' ' A' ' 68' ' ' TYR . 11.1 mt -49.03 -74.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -114.62 -62.88 1.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.861 HG22 ' CD ' ' A' ' 61' ' ' GLU . 2.5 t -133.21 -1.23 3.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.2 t -150.37 179.42 8.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.761 HG23 ' CD2' ' A' ' 99' ' ' TYR . 38.5 p -120.45 177.72 4.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 86.4 mt -85.87 103.88 15.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.5 mm -80.99 -71.97 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -145.71 146.1 27.95 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.621 0.724 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 133.55 25.68 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.686 2.257 . . . . 0.0 112.323 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -39.56 153.27 0.19 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.557 0.694 . . . . 0.0 111.104 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 148.1 64.26 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.683 2.255 . . . . 0.0 112.353 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.5 t -147.67 114.34 6.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.841 0.353 . . . . 0.0 110.895 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.7 p -138.83 169.73 17.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.826 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.52 118.93 0.48 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.4 p -147.21 105.84 3.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.905 0.383 . . . . 0.0 110.832 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -81.27 -46.53 14.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.48 -156.73 38.45 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.49 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -158.13 128.28 6.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.772 0.32 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.8 p -144.35 166.95 23.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.6 m -54.66 -174.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.883 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -38.58 101.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.062 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -128.57 108.04 10.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -171.88 172.97 4.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -105.14 87.13 2.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.501 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 36.4 m -47.85 -24.61 1.04 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.1 p -80.49 -39.05 28.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.849 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.602 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 7.8 t70 -64.05 94.94 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.593 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 5.5 mtm105 -62.72 -32.24 73.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.407 ' O ' ' NE ' ' A' ' 111' ' ' ARG . 33.0 t -73.67 6.65 2.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -116.72 -25.63 7.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.144 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.602 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 52.8 p-90 -130.41 -41.42 1.22 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.48 ' HB2' ' CZ3' ' A' ' 21' ' ' TRP . 9.2 t80 -69.95 100.75 1.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.641 ' O ' ' C ' ' A' ' 24' ' ' GLY . 4.5 mmt -88.93 8.68 28.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.641 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 10.05 -84.14 0.0 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.515 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.524 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.7 Cg_endo -69.73 76.57 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 2.229 . . . . 0.0 112.369 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.485 HG12 ' CB ' ' A' ' 46' ' ' ARG . 0.3 OUTLIER -145.92 138.49 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.7 m -81.87 142.45 32.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.3 ttt85 -48.35 -52.28 22.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -52.62 -31.5 36.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 32' ' ' GLN . 5.7 tt0 -72.85 -70.63 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.463 ' HB1' HD11 ' A' ' 44' ' ' LEU . . . -36.61 -28.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.521 ' HA ' HG21 ' A' ' 65' ' ' VAL . 4.2 mt-30 -74.28 -52.44 12.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.434 HG22 ' O ' ' A' ' 30' ' ' GLU . 1.5 t -61.55 -23.77 66.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -80.15 -27.27 39.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.473 HD13 ' C ' ' A' ' 58' ' ' SER . 13.8 mt -112.78 9.43 19.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -86.89 111.81 21.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.65 -26.55 5.8 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.462 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -48.98 160.16 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.78 152.08 4.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 60.2 m170 -71.4 114.22 9.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.811 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 140.63 -27.24 2.49 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.442 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 32.4 ttm -58.52 146.98 33.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.74 0.305 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.472 ' CB ' HD22 ' A' ' 105' ' ' LEU . 3.8 p90 -156.34 171.99 19.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.868 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.493 HD13 ' HG3' ' A' ' 23' ' ' MET . 4.2 pp -174.38 145.85 1.02 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.6 t -107.62 118.77 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.719 HH12 HG11 ' A' ' 56' ' ' VAL . 1.5 ptm180 -117.48 175.7 5.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -85.99 127.45 34.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t -66.67 128.47 36.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.0 m -84.27 -41.68 16.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.906 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 72.3 p -41.35 -53.01 3.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.0 m -145.66 142.9 18.56 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.622 0.725 . . . . 0.0 110.821 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 122.25 8.93 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.712 2.275 . . . . 0.0 112.348 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 126.51 -55.21 0.74 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -67.69 161.16 26.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.873 0.368 . . . . 0.0 110.816 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -125.53 163.87 21.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.719 HG11 HH12 ' A' ' 46' ' ' ARG . 37.7 t -130.19 118.35 43.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.147 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.847 HD11 HG23 ' A' ' 59' ' ' VAL . 2.5 tm? -92.18 101.24 13.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.473 ' C ' HD13 ' A' ' 35' ' ' LEU . 4.6 m -83.6 121.47 27.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.847 HG23 HD11 ' A' ' 57' ' ' LEU . 1.7 t -125.74 150.65 31.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.133 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.0 t -97.7 106.27 18.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.715 ' CD ' HG22 ' A' ' 102' ' ' THR . 8.1 tt0 -155.6 142.08 18.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 61.8 53.22 3.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.0 m 41.65 33.52 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -153.81 178.02 10.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.521 HG21 ' HA ' ' A' ' 32' ' ' GLN . 38.8 t -103.4 99.8 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 59' ' ' VAL . 37.4 m -70.1 88.35 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -75.2 104.32 5.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.525 ' HB3' HD11 ' A' ' 80' ' ' ILE . 64.8 m-85 -100.06 96.69 7.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.943 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 98.0 mt -57.33 146.53 6.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.599 HD11 ' HB2' ' A' ' 57' ' ' LEU . 5.4 mp -120.71 107.59 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.141 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -69.94 140.77 53.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.6 t -96.59 107.0 19.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 33.1 mt -76.79 151.26 82.26 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.583 0.706 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -16.85 37.86 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.737 2.291 . . . . 0.0 112.341 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -92.7 41.84 1.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 31.7 mtt85 45.15 44.69 8.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -135.74 163.58 29.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.428 ' CE2' ' HG ' ' A' ' 88' ' ' LEU . 60.6 m-85 -115.4 139.5 49.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.5 tttm -122.94 104.12 9.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.603 ' O ' HG23 ' A' ' 80' ' ' ILE . 11.9 tt -94.04 102.97 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.98 -108.98 2.77 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.502 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -118.08 22.38 12.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.756 0.312 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -129.66 161.02 31.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -132.16 144.2 50.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.578 ' CD2' ' HB2' ' A' ' 91' ' ' LEU . 98.4 m-85 -131.45 175.3 9.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -71.57 -31.39 66.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 1.016 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 2.9 p80 -175.93 -175.05 0.7 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.5 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 8.7 mt -56.64 -60.09 10.33 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.573 0.702 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.0 Cg_endo -69.82 9.7 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.66 2.24 . . . . 0.0 112.29 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 1.016 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -109.31 -23.02 11.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.083 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.578 ' HB2' ' CD2' ' A' ' 85' ' ' PHE . 3.2 pp -89.09 -40.83 12.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.2 mt -61.24 -35.66 77.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.416 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 6.6 pt-20 -70.71 -24.76 62.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.4 ' CD2' ' HE1' ' A' ' 85' ' ' PHE . 22.4 t80 -86.72 -15.93 37.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.416 ' CE1' HD23 ' A' ' 100' ' ' LEU . 3.5 m-85 -91.28 -23.1 20.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.416 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 7.2 mtpm? -52.14 -21.66 3.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.943 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.448 HG13 ' N ' ' A' ' 98' ' ' HIS . 48.0 pt -109.17 -33.1 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.448 ' N ' HG13 ' A' ' 97' ' ' ILE . 4.8 m-70 -88.11 139.43 30.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.787 ' HA ' HG22 ' A' ' 104' ' ' THR . 11.3 m-85 -92.95 113.95 26.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.416 HD23 ' CE1' ' A' ' 95' ' ' TYR . 5.7 mt -50.39 -69.2 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.848 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -121.55 -62.15 1.45 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.715 HG22 ' CD ' ' A' ' 61' ' ' GLU . 13.5 t -129.12 -7.34 4.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.152 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 4.1 t -148.78 179.1 8.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.787 HG22 ' HA ' ' A' ' 99' ' ' TYR . 27.1 p -122.49 -179.59 4.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.472 HD22 ' CB ' ' A' ' 43' ' ' PHE . 95.0 mt -86.25 109.42 18.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 25.8 mm -87.86 -71.1 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -146.74 147.87 31.44 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.65 0.738 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 144.8 55.18 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.673 2.249 . . . . 0.0 112.378 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.605 ' HB1' ' HD2' ' A' ' 110' ' ' PRO . . . -47.19 161.17 0.32 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.606 0.717 . . . . 0.0 111.088 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.605 ' HD2' ' HB1' ' A' ' 109' ' ' ALA . 53.8 Cg_endo -69.78 148.49 65.09 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.674 2.249 . . . . 0.0 112.364 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.453 ' CZ ' ' HB3' ' A' ' 111' ' ' ARG . 3.0 mmm180 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 m -88.6 82.34 6.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.857 0.36 . . . . 0.0 110.864 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.6 p -171.59 158.35 5.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.78 149.48 18.51 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.46 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.9 p -133.22 113.11 12.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.879 0.371 . . . . 0.0 110.834 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.1 m -89.8 163.68 14.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.45 62.54 0.53 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.9 mmt -88.91 -56.15 3.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.792 0.33 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.8 t -71.66 135.87 47.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 55.2 p -93.47 148.21 22.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.804 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 58.74 52.21 6.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.112 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -106.58 96.88 6.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -150.22 166.31 30.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -85.89 103.94 15.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.43 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 14.0 p -67.55 -32.17 72.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.5 p -76.92 -38.81 52.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.78 ' OD2' ' HB2' ' A' ' 20' ' ' ALA . 25.1 t70 -60.4 92.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.587 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 21.6 mtm180 -64.38 -36.3 83.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.4 t -67.86 -1.2 5.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.78 ' HB2' ' OD2' ' A' ' 17' ' ' ASP . . . -105.12 -27.16 11.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.069 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.587 ' CZ2' ' HG3' ' A' ' 18' ' ' ARG . 55.1 p-90 -129.26 -44.74 1.25 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.494 ' N ' ' O ' ' A' ' 18' ' ' ARG . 12.3 t80 -61.31 106.69 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.957 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.886 ' HG3' HD13 ' A' ' 44' ' ' LEU . 5.0 mmt -84.62 -4.19 58.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.508 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 29.0 -91.68 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.498 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.503 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.9 Cg_endo -69.77 78.97 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.631 2.221 . . . . 0.0 112.392 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.73 HG21 ' HB3' ' A' ' 23' ' ' MET . 25.1 t -154.35 142.08 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 65.4 m -105.84 151.71 24.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -41.94 -48.51 4.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -50.52 -48.63 57.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.73 ' O ' HG22 ' A' ' 33' ' ' THR . 13.7 tt0 -65.51 -66.65 0.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 30' ' ' GLU . . . -33.58 -37.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.083 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 36' ' ' GLN . 5.3 mt-30 -63.83 -53.46 50.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.941 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.73 HG22 ' O ' ' A' ' 30' ' ' GLU . 6.4 t -60.37 -25.79 66.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -78.61 -28.0 45.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.53 ' CD2' ' HB2' ' A' ' 109' ' ' ALA . 21.6 mt -117.66 13.96 14.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 32' ' ' GLN . 3.0 tp-100 -85.08 117.67 24.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.917 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.84 17.09 74.97 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -88.8 173.1 8.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.903 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.1 ptm85 -62.83 144.01 57.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.816 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 56.3 m170 -64.67 124.85 22.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.83 -30.38 4.64 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.489 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.5 ttm -52.72 138.37 29.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.541 ' CD2' HD22 ' A' ' 105' ' ' LEU . 3.2 p90 -143.52 169.9 16.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.886 HD13 ' HG3' ' A' ' 23' ' ' MET . 3.2 pp -168.81 143.67 3.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.484 HG22 HD23 ' A' ' 57' ' ' LEU . 26.0 t -116.05 114.85 47.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.12 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.421 ' NH1' ' O ' ' A' ' 26' ' ' VAL . 16.2 ptt85 -117.74 163.43 16.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -70.52 123.22 21.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.3 t -65.32 134.93 54.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 60.9 p -99.41 -38.05 8.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.861 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 79.1 p -77.71 -52.78 8.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.155 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 98.1 m -85.07 132.72 44.7 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.599 0.714 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 53' ' ' GLY . 53.7 Cg_endo -69.8 146.88 61.26 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.65 2.233 . . . . 0.0 112.34 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 52' ' ' PRO . . . 33.71 41.05 0.15 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.464 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -126.21 177.16 6.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.866 0.365 . . . . 0.0 110.837 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -139.73 161.92 36.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.5 t -131.38 112.65 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.716 HD13 ' O ' ' A' ' 57' ' ' LEU . 2.5 tm? -88.99 100.41 13.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.6 m -84.66 123.76 30.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.512 HG23 HD11 ' A' ' 57' ' ' LEU . 0.9 OUTLIER -124.35 142.25 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.173 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.0 t -89.56 116.47 27.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.577 ' CG ' HG22 ' A' ' 102' ' ' THR . 17.0 tp10 -167.7 154.28 7.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 48.3 m-20 60.54 44.91 11.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.3 m 46.27 32.35 1.48 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.7 ptt-85 -151.44 -177.99 6.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 97.4 t -108.57 100.36 10.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 59' ' ' VAL . 5.0 m -69.19 141.26 54.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -123.06 95.55 4.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.616 ' HB3' HD11 ' A' ' 80' ' ' ILE . 59.4 m-85 -96.76 100.63 12.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 88.5 mt -67.31 142.55 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.133 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.669 HD11 ' HB2' ' A' ' 57' ' ' LEU . 4.7 mp -115.39 105.05 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -64.87 140.62 58.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.7 t -97.95 107.02 19.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.438 ' CB ' ' OD1' ' A' ' 75' ' ' ASN . 53.5 mt -79.41 150.51 73.75 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.618 0.723 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -13.61 34.9 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.265 . . . . 0.0 112.374 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.438 ' OD1' ' CB ' ' A' ' 73' ' ' LEU . 4.1 p30 -94.02 40.97 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? 45.27 38.85 3.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -132.21 150.95 52.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.472 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 57.8 m-85 -105.66 138.98 40.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.413 ' HB2' HD11 ' A' ' 73' ' ' LEU . 31.8 tttt -123.91 104.9 9.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.616 HD11 ' HB3' ' A' ' 68' ' ' TYR . 7.7 tt -97.57 104.08 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.21 -109.72 2.86 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -117.06 27.74 8.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.764 0.316 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -134.09 162.3 32.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -138.62 139.7 38.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.653 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 93.2 m-85 -129.05 174.36 9.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -69.51 -36.39 76.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.857 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 2.6 p80 -170.7 -175.02 1.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.489 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 8.7 mt -56.05 -60.46 8.79 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.604 0.716 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.5 Cg_endo -69.76 15.23 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.722 2.282 . . . . 0.0 112.332 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.857 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -114.15 -24.22 9.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.653 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.6 pp -87.76 -41.83 13.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.424 ' N ' HD12 ' A' ' 91' ' ' LEU . 24.2 mt -56.9 -35.84 69.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -72.63 -33.15 66.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -75.92 -23.78 55.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -80.22 -18.86 48.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -53.13 -21.33 4.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.461 HG13 ' N ' ' A' ' 98' ' ' HIS . 46.2 pt -111.72 -33.81 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.131 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.461 ' N ' HG13 ' A' ' 97' ' ' ILE . 50.3 m170 -90.98 128.92 37.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.653 ' CD2' HG23 ' A' ' 104' ' ' THR . 21.9 m-85 -85.05 113.78 21.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.457 HD22 ' CE2' ' A' ' 68' ' ' TYR . 3.1 mp -44.49 -62.63 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -127.67 -64.78 0.96 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.577 HG22 ' CG ' ' A' ' 61' ' ' GLU . 13.6 t -130.8 -5.39 4.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.449 ' CG2' ' OE1' ' A' ' 61' ' ' GLU . 6.0 t -147.24 170.71 16.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.653 HG23 ' CD2' ' A' ' 99' ' ' TYR . 3.1 p -112.8 178.15 4.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.161 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.541 HD22 ' CD2' ' A' ' 43' ' ' PHE . 83.2 mt -81.76 123.2 28.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 31.6 mm -100.64 -65.92 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -155.66 150.65 20.75 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.678 0.751 . . . . 0.0 110.827 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 139.47 40.39 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.673 2.249 . . . . 0.0 112.36 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.645 ' HB1' ' HD2' ' A' ' 110' ' ' PRO . . . -56.06 162.73 2.68 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.607 0.718 . . . . 0.0 111.076 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.645 ' HD2' ' HB1' ' A' ' 109' ' ' ALA . 53.7 Cg_endo -69.77 148.76 65.72 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.679 2.252 . . . . 0.0 112.355 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.842 -179.953 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.6 p -93.75 146.01 24.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.879 0.371 . . . . 0.0 110.908 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.4 p -107.7 -54.57 2.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.71 96.24 0.1 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.8 p -168.58 128.17 1.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.832 0.348 . . . . 0.0 110.835 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.6 p -122.59 175.49 6.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.87 -170.81 21.11 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.437 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.6 139.07 50.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.772 0.32 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.3 p -99.63 123.26 43.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.866 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 64.8 m -149.87 142.91 24.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.459 ' HB1' ' HG2' ' A' ' 96' ' ' LYS . . . 59.36 48.45 10.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.118 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.2 tpp180 -102.4 94.27 5.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.589 ' CE1' ' HE2' ' A' ' 96' ' ' LYS . 26.3 p90 -153.22 164.76 37.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -93.43 93.46 8.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.417 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 4.9 m -59.05 -18.36 34.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.4 m -84.3 -38.91 19.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.824 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.65 ' OD2' ' HB2' ' A' ' 20' ' ' ALA . 44.3 t0 -62.6 91.83 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.582 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 12.1 mtp180 -61.42 -35.63 78.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 t -71.67 5.08 2.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.65 ' HB2' ' OD2' ' A' ' 17' ' ' ASP . . . -115.48 -25.59 7.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.601 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 61.5 p-90 -130.16 -42.15 1.23 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.938 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.565 ' HB2' ' CZ3' ' A' ' 21' ' ' TRP . 22.5 t80 -69.0 104.42 2.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.794 ' HG3' HD13 ' A' ' 44' ' ' LEU . 4.7 mmt -86.37 -6.4 58.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.524 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 27.54 -90.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.422 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.531 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.6 Cg_endo -69.84 79.22 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.311 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.75 HG21 ' HB3' ' A' ' 23' ' ' MET . 9.7 t -150.77 125.54 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.1 t -75.98 151.88 37.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.4 ttt85 -52.36 -49.29 64.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -55.05 -32.66 62.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 32' ' ' GLN . 13.4 tt0 -75.49 -69.15 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.535 ' HB1' HD21 ' A' ' 44' ' ' LEU . . . -37.08 -30.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 30' ' ' GLU . 4.9 mt-30 -69.57 -50.38 45.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 30' ' ' GLU . 1.0 OUTLIER -64.79 -21.09 66.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -77.39 -29.24 53.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.826 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.406 ' CD2' ' HG2' ' A' ' 42' ' ' MET . 12.4 mt -116.1 5.18 13.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -80.79 113.81 19.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.82 -27.73 7.81 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -52.82 164.63 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.857 0.36 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.41 151.53 23.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -67.09 125.47 26.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 131.35 -40.55 1.62 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.47 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.406 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 29.0 ttm -45.43 146.92 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.818 0.342 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.458 ' HB2' HG12 ' A' ' 59' ' ' VAL . 10.5 p90 -150.21 173.92 13.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.794 HD13 ' HG3' ' A' ' 23' ' ' MET . 1.2 pp -173.88 146.06 1.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.5 t -118.67 113.12 40.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.5 ptt85 -117.38 176.15 5.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -79.8 127.74 32.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.463 ' CB ' ' HB3' ' A' ' 54' ' ' ASP . 46.1 t -57.06 175.77 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.797 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.5 m -127.11 -57.35 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.2 p -76.45 -9.91 59.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.166 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 72.3 m -118.74 134.83 23.51 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.569 0.699 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 53' ' ' GLY . 54.2 Cg_endo -69.78 137.8 36.25 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.657 2.238 . . . . 0.0 112.366 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 52' ' ' PRO . . . 37.07 39.63 0.45 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.463 ' HB3' ' CB ' ' A' ' 48' ' ' SER . 1.6 t70 -110.5 173.68 6.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.867 0.365 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -135.06 162.59 32.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.453 ' CG1' ' HB3' ' A' ' 67' ' ' HIS . 96.5 t -139.86 106.67 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.7 tp -76.37 104.31 6.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.445 ' HB3' ' CG1' ' A' ' 65' ' ' VAL . 51.0 m -94.77 127.04 40.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.617 HG22 ' HB2' ' A' ' 66' ' ' SER . 1.6 m -130.2 155.83 41.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.155 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.3 t -93.88 116.72 29.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.517 ' CG ' ' CG2' ' A' ' 102' ' ' THR . 7.9 tp10 -168.47 145.5 3.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 63.28 32.07 15.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.8 t 60.55 27.48 17.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.37 -179.07 6.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.445 ' CG1' ' HB3' ' A' ' 58' ' ' SER . 48.7 t -113.9 104.21 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.108 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.617 ' HB2' HG22 ' A' ' 59' ' ' VAL . 38.9 m -73.95 110.98 8.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.453 ' HB3' ' CG1' ' A' ' 56' ' ' VAL . 94.7 m-70 -92.08 97.99 11.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.673 ' O ' HD12 ' A' ' 70' ' ' ILE . 61.4 m-85 -91.47 100.16 12.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 67.6 mt -63.57 129.85 27.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.126 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.673 HD12 ' O ' ' A' ' 68' ' ' TYR . 3.9 mp -107.32 109.66 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 79' ' ' LYS . 30.4 m120 -76.61 129.28 36.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.7 t -90.69 106.15 18.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 77' ' ' ARG . 21.0 mt -73.15 144.84 85.2 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.573 0.701 . . . . 0.0 110.936 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -2.13 9.64 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.718 2.278 . . . . 0.0 112.32 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.531 ' ND2' ' HD3' ' A' ' 77' ' ' ARG . 2.0 p-10 -98.1 44.24 1.04 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.401 ' HD2' ' C ' ' A' ' 75' ' ' ASN . 1.3 mpt_? 49.77 31.39 4.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.531 ' HD3' ' ND2' ' A' ' 75' ' ' ASN . 6.8 mpt_? -144.1 163.22 34.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -111.48 -178.23 3.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 71' ' ' ASN . 13.0 tttp -158.83 105.23 1.78 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.478 HD13 ' HE2' ' A' ' 95' ' ' TYR . 1.9 tt -87.99 100.62 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.179 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.34 -99.94 0.93 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.497 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -121.65 24.83 9.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.757 0.313 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -129.33 157.61 41.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -129.48 151.97 49.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.59 ' CD2' ' HB3' ' A' ' 91' ' ' LEU . 97.9 m-85 -147.31 163.02 37.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.65 -33.62 68.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.587 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 2.1 p80 -176.04 -174.98 0.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.521 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 9.3 mt -55.28 -58.99 12.27 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 54.5 Cg_endo -69.71 21.65 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.674 2.25 . . . . 0.0 112.382 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.587 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -119.67 -33.88 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.59 ' HB3' ' CD2' ' A' ' 85' ' ' PHE . 3.9 pp -77.65 -43.11 32.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.501 ' N ' HD12 ' A' ' 91' ' ' LEU . 13.7 mt -58.59 -44.81 89.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -62.05 -34.76 76.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.583 ' CE2' ' CD2' ' A' ' 98' ' ' HIS . 42.2 t80 -73.55 -28.06 61.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.633 ' CE1' HD23 ' A' ' 100' ' ' LEU . 3.2 m-85 -76.51 -14.76 60.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.589 ' HE2' ' CE1' ' A' ' 13' ' ' PHE . 69.3 mttt -54.55 -20.28 7.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.463 HG13 ' N ' ' A' ' 98' ' ' HIS . 43.4 pt -114.99 -34.0 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.181 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.583 ' CD2' ' CE2' ' A' ' 94' ' ' PHE . 3.9 m-70 -87.0 128.34 35.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.728 ' CD2' HG23 ' A' ' 104' ' ' THR . 23.0 m-85 -84.09 113.43 21.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.633 HD23 ' CE1' ' A' ' 95' ' ' TYR . 10.4 mt -47.15 -68.45 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -120.78 -66.56 1.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.517 ' CG2' ' CG ' ' A' ' 61' ' ' GLU . 14.1 t -129.02 -7.05 4.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.1 t -145.3 170.73 15.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.197 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.728 HG23 ' CD2' ' A' ' 99' ' ' TYR . 7.7 p -111.01 -177.23 3.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.182 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 99.5 mt -90.27 118.26 29.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 28.8 mm -96.47 -68.2 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -152.74 147.79 19.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.611 0.719 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 137.23 34.99 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.654 2.236 . . . . 0.0 112.35 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.4 ' HB2' ' CD2' ' A' ' 35' ' ' LEU . . . -45.95 151.43 0.88 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.591 0.71 . . . . 0.0 111.101 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 148.08 64.16 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.719 2.279 . . . . 0.0 112.353 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.969 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -122.96 97.15 5.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.88 0.371 . . . . 0.0 110.851 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -149.02 114.91 5.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.46 177.93 16.51 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.468 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.8 p -91.58 40.96 1.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 0.0 110.873 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 m -69.92 -47.3 62.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.844 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.14 -174.86 20.7 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.2 ptp -148.04 140.6 24.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.743 0.306 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.3 m -109.08 161.68 14.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.855 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.451 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 5.7 m -100.86 137.1 39.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 10' ' ' SER . . . 69.31 52.96 0.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.112 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -108.55 92.0 3.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.511 ' CD1' ' O ' ' A' ' 106' ' ' ILE . 53.1 p90 -149.44 168.39 23.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -87.6 128.44 35.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.501 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 18.6 p -94.42 -24.48 17.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.81 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.7 p -81.63 -39.18 24.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.701 ' OD2' ' HB2' ' A' ' 20' ' ' ALA . 32.9 t0 -60.42 91.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.573 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 19.3 mtt180 -59.55 -32.81 70.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.8 t -73.28 3.95 5.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.701 ' HB2' ' OD2' ' A' ' 17' ' ' ASP . . . -113.27 -27.2 8.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.092 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.578 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 46.2 p-90 -128.12 -42.27 1.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.575 ' HB2' ' CZ3' ' A' ' 21' ' ' TRP . 37.4 t80 -75.35 104.76 6.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.637 ' O ' ' C ' ' A' ' 24' ' ' GLY . 3.0 mmt -90.25 12.49 17.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.895 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.637 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 10.91 -83.07 0.0 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.478 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.557 ' N ' ' O ' ' A' ' 23' ' ' MET . 54.4 Cg_endo -69.7 77.11 1.07 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.691 2.261 . . . . 0.0 112.374 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.624 HG21 ' HB3' ' A' ' 23' ' ' MET . 2.5 t -146.56 144.46 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 46.5 m -90.61 152.04 21.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -56.18 -47.93 77.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' A' ' 30' ' ' GLU . 8.2 pt20 -60.85 -32.38 71.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.82 ' O ' HG22 ' A' ' 33' ' ' THR . 11.9 tt0 -69.64 -70.22 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.696 ' HB2' ' HD2' ' A' ' 46' ' ' ARG . . . -35.62 -31.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.069 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.537 ' HA ' HG21 ' A' ' 65' ' ' VAL . 6.8 mt-30 -69.26 -48.23 62.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.82 HG22 ' O ' ' A' ' 30' ' ' GLU . 12.8 t -61.08 -25.46 66.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.443 ' NH1' ' O ' ' A' ' 110' ' ' PRO . 2.0 mtp-105 -80.94 -33.42 34.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.434 HD11 ' HG ' ' A' ' 44' ' ' LEU . 19.1 mt -107.96 8.54 28.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 32' ' ' GLN . 2.8 tp-100 -87.37 112.63 22.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.36 -8.26 58.83 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.519 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -67.05 164.14 18.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.823 0.344 . . . . 0.0 110.933 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -56.83 138.06 53.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -57.19 122.4 12.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 132.97 -45.17 1.14 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 35.0 ttm -38.43 152.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -157.75 170.24 22.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.709 HD12 ' C ' ' A' ' 44' ' ' LEU . 2.6 pp -174.59 147.38 1.08 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.42 HG22 HD23 ' A' ' 57' ' ' LEU . 14.4 t -112.39 105.8 19.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.749 ' NH1' HG11 ' A' ' 56' ' ' VAL . 0.4 OUTLIER -105.2 174.39 5.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -68.47 131.12 44.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.454 ' HB3' ' C ' ' A' ' 54' ' ' ASP . 4.9 p -48.24 176.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.8 t -115.0 108.19 16.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.0 p 50.24 36.98 13.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.163 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.4 m -124.2 135.78 26.83 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.61 0.719 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 53' ' ' GLY . 53.7 Cg_endo -69.77 131.7 21.77 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.702 2.268 . . . . 0.0 112.327 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 52' ' ' PRO . . . 32.45 61.16 0.36 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.454 ' C ' ' HB3' ' A' ' 48' ' ' SER . 15.0 m-20 -134.76 176.86 8.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -145.06 177.86 8.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.749 HG11 ' NH1' ' A' ' 46' ' ' ARG . 19.7 t -146.09 117.1 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.155 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.761 HD13 ' O ' ' A' ' 57' ' ' LEU . 2.2 tm? -99.24 100.88 12.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.405 ' HB3' ' CG1' ' A' ' 65' ' ' VAL . 20.1 m -92.91 146.81 23.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.569 HG22 ' HB2' ' A' ' 66' ' ' SER . 1.8 m -142.6 164.58 17.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.9 t -99.5 112.9 25.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.458 ' CG ' HG22 ' A' ' 102' ' ' THR . 5.2 tp10 -169.72 158.96 7.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 51.12 51.91 16.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.8 t 40.01 30.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.2 ptt85 -157.25 -176.53 6.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.537 HG21 ' HA ' ' A' ' 32' ' ' GLN . 16.6 t -109.86 112.33 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.569 ' HB2' HG22 ' A' ' 59' ' ' VAL . 5.8 m -82.4 94.18 7.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -78.43 103.3 8.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.439 ' CE2' HD13 ' A' ' 100' ' ' LEU . 50.6 m-85 -97.77 91.37 5.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.953 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.739 HD13 HG22 ' A' ' 56' ' ' VAL . 2.3 mm -46.76 160.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.143 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.54 HD11 ' CB ' ' A' ' 57' ' ' LEU . 4.9 mp -134.18 93.77 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -69.6 135.13 49.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.3 t -88.5 123.01 32.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 34.4 mt -89.86 151.05 44.93 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.618 0.723 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 2.0 3.91 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -111.01 46.03 1.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 42.02 44.05 2.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -140.72 164.84 29.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.68 ' CE2' ' CD2' ' A' ' 88' ' ' LEU . 43.5 m-85 -114.61 156.35 24.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -131.1 103.37 6.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.53 ' O ' HG23 ' A' ' 80' ' ' ILE . 8.4 tt -92.89 99.19 9.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.46 -104.4 1.67 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.523 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.33 4.99 14.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.735 0.303 . . . . 0.0 110.854 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -116.42 163.27 16.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -136.54 157.54 46.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.609 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 97.7 m-85 -143.77 -175.13 4.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -84.27 -28.17 27.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 1.011 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 3.0 p80 -175.75 -175.01 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.845 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.68 ' CD2' ' CE2' ' A' ' 78' ' ' PHE . 2.8 mm? -57.18 -60.06 10.83 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.566 0.698 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 54.2 Cg_endo -69.74 8.58 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.624 2.216 . . . . 0.0 112.369 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 1.011 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -106.5 -20.51 13.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.609 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.0 pp -99.69 -39.39 8.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.1 mt -62.3 -35.93 80.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.48 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 7.0 pt-20 -74.65 -25.73 59.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.428 ' CE2' ' CD2' ' A' ' 98' ' ' HIS . 32.2 t80 -83.48 -19.58 35.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -89.88 -22.11 22.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.48 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 24.0 mtpt -50.94 -19.01 0.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.443 HG13 ' N ' ' A' ' 98' ' ' HIS . 46.9 pt -114.53 -33.97 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.443 ' N ' HG13 ' A' ' 97' ' ' ILE . 3.5 m-70 -83.49 146.44 28.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.733 ' HA ' HG22 ' A' ' 104' ' ' THR . 19.7 m-85 -100.2 114.47 27.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.439 HD13 ' CE2' ' A' ' 68' ' ' TYR . 6.0 mt -55.43 -68.39 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -118.82 -66.86 1.03 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.458 HG22 ' CG ' ' A' ' 61' ' ' GLU . 5.8 t -128.66 -5.3 5.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 t -150.76 175.07 12.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.733 HG22 ' HA ' ' A' ' 99' ' ' TYR . 11.4 p -119.69 -178.05 3.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 48.8 mt -88.12 118.08 27.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.511 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 30.1 mm -93.85 -65.36 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -150.55 145.13 18.07 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.673 0.749 . . . . 0.0 110.849 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.481 ' HD3' ' CD2' ' A' ' 13' ' ' PHE . 53.0 Cg_endo -69.76 136.35 32.77 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.712 2.275 . . . . 0.0 112.311 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -52.4 149.01 11.01 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.594 0.712 . . . . 0.0 111.092 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.443 ' O ' ' NH1' ' A' ' 34' ' ' ARG . 54.2 Cg_endo -69.74 146.92 61.81 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.705 2.27 . . . . 0.0 112.35 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -129.08 146.83 50.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 110.84 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.0 m -156.34 138.98 15.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.99 -175.89 47.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.463 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.7 p -109.66 177.12 4.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.88 0.371 . . . . 0.0 110.806 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -94.02 147.84 22.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.51 162.72 27.96 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 9' ' ' SER . 10.1 tmm? -123.81 -60.12 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.835 0.35 . . . . 0.0 110.913 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 8' ' ' MET . 31.0 t -35.65 149.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 91.6 p -83.97 -47.24 11.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -96.49 95.53 8.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -110.44 99.32 8.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -171.11 156.92 4.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -95.21 100.65 12.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.0 m -61.73 -9.99 7.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.5 p -90.24 -27.36 19.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.7 ' OD2' ' HB2' ' A' ' 20' ' ' ALA . 25.1 t0 -75.47 92.62 2.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.573 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 19.5 mtp180 -60.17 -32.26 70.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -74.95 9.02 2.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.7 ' HB2' ' OD2' ' A' ' 17' ' ' ASP . . . -121.03 -26.01 5.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.128 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.582 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 61.8 p-90 -129.32 -40.07 1.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.481 ' HB2' ' CZ3' ' A' ' 21' ' ' TRP . 10.3 t80 -73.78 98.92 3.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.949 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.673 ' O ' ' C ' ' A' ' 24' ' ' GLY . 3.5 mmt -94.71 19.86 9.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.673 ' C ' ' O ' ' A' ' 23' ' ' MET . . . -4.22 -71.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.471 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.515 ' N ' ' O ' ' A' ' 23' ' ' MET . 54.0 Cg_endo -69.74 73.35 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.723 2.282 . . . . 0.0 112.346 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.536 ' CG1' ' N ' ' A' ' 27' ' ' SER . 2.8 t -141.67 158.49 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.536 ' N ' ' CG1' ' A' ' 26' ' ' VAL . 69.2 m -111.32 132.81 54.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 27' ' ' SER . 4.1 tpt180 -35.25 -56.8 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -47.14 -41.63 18.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.563 ' O ' HG22 ' A' ' 33' ' ' THR . 9.8 tt0 -65.93 -67.0 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.47 ' CB ' ' HD3' ' A' ' 46' ' ' ARG . . . -35.21 -31.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.089 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' A' ' 30' ' ' GLU . 3.0 mt-30 -72.94 -55.25 6.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 30' ' ' GLU . 5.2 t -58.53 -24.97 61.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.0 mtp180 -78.48 -27.64 46.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.432 ' CD2' ' HG2' ' A' ' 42' ' ' MET . 12.7 mt -116.3 9.66 14.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 32' ' ' GLN . 2.8 tp-100 -83.09 114.61 21.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.97 15.08 62.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.464 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -85.49 161.4 19.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.776 0.322 . . . . 0.0 110.949 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -46.94 132.6 11.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -55.68 125.26 20.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.38 -38.73 2.22 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.48 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.432 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 28.2 ttm -39.47 141.27 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.797 0.332 . . . . 0.0 110.861 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 108' ' ' PRO . 2.4 p90 -148.17 169.65 19.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.63 HD12 ' C ' ' A' ' 44' ' ' LEU . 2.3 pp -175.0 148.59 1.03 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.583 HG22 HD23 ' A' ' 57' ' ' LEU . 47.1 t -116.75 114.38 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.47 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -115.83 169.55 9.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -85.34 115.63 23.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -46.63 172.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 46.0 t -118.05 -57.81 2.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.8 p -88.22 21.23 2.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.127 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 60.6 m -131.88 128.93 21.74 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.598 0.713 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 53' ' ' GLY . 54.2 Cg_endo -69.77 128.28 15.8 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.675 2.25 . . . . 0.0 112.365 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 52' ' ' PRO . . . 36.88 46.32 1.17 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.474 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -120.12 163.73 17.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.36 . . . . 0.0 110.838 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -122.39 164.49 17.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.3 t -138.77 105.57 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.085 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.76 HD13 ' C ' ' A' ' 57' ' ' LEU . 2.3 tm? -83.21 107.53 15.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.8 m -97.26 145.69 25.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.65 ' CG1' HD11 ' A' ' 57' ' ' LEU . 1.1 m -149.12 151.03 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.123 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.4 t -88.71 104.03 16.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.618 ' CG ' HG22 ' A' ' 102' ' ' THR . 7.5 tt0 -150.73 147.17 27.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.867 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.457 ' N ' ' HG2' ' A' ' 61' ' ' GLU . 18.2 m-80 57.77 53.14 7.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.3 m 43.55 29.67 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -151.14 -179.62 7.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 88.6 t -111.13 95.82 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.553 ' HB3' HG22 ' A' ' 59' ' ' VAL . 1.0 OUTLIER -62.63 117.84 6.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.84 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -98.43 93.96 6.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.442 ' O ' HD12 ' A' ' 70' ' ' ILE . 58.9 m-85 -89.6 99.33 12.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 78.5 mt -72.06 129.91 35.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.442 HD12 ' O ' ' A' ' 68' ' ' TYR . 3.4 mp -101.61 104.34 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -68.39 134.26 49.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.3 t -86.78 114.09 23.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.526 HD11 ' HG2' ' A' ' 84' ' ' GLU . 47.6 mt -83.22 151.36 62.82 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.609 0.719 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -23.02 31.22 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.37 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -87.79 50.0 1.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 37.61 51.89 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.812 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -147.28 159.19 43.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.594 ' CE2' ' CD2' ' A' ' 88' ' ' LEU . 37.0 m-85 -108.06 158.83 17.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.5 tttt -140.14 105.08 4.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.571 ' O ' HG23 ' A' ' 80' ' ' ILE . 11.5 tt -94.9 106.44 18.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.5 -106.71 2.05 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.47 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -118.35 24.02 11.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.78 0.324 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 -134.22 162.33 32.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.526 ' HG2' HD11 ' A' ' 73' ' ' LEU . 46.8 mt-10 -131.6 150.06 52.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.634 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 97.2 m-85 -137.22 175.74 9.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -76.26 -32.83 59.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.788 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 2.2 p80 -175.98 -174.95 0.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.594 ' CD2' ' CE2' ' A' ' 78' ' ' PHE . 3.3 mm? -53.96 -60.78 6.51 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.612 0.72 . . . . 0.0 110.955 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.8 Cg_endo -69.76 13.31 0.29 Allowed 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.739 2.293 . . . . 0.0 112.376 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.788 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -111.9 -26.72 8.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.634 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.4 pp -91.52 -40.57 11.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 31.0 mt -58.67 -46.66 86.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -62.65 -29.68 70.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -77.7 -22.7 50.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.433 ' HE2' HG21 ' A' ' 80' ' ' ILE . 10.9 m-85 -93.85 -11.72 30.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.948 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -61.14 -13.85 20.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.485 HG12 ' N ' ' A' ' 98' ' ' HIS . 0.1 OUTLIER -120.02 -29.77 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.485 ' N ' HG12 ' A' ' 97' ' ' ILE . 8.0 m-70 -91.35 143.78 26.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.594 ' HA ' HG22 ' A' ' 104' ' ' THR . 2.3 m-85 -94.08 113.61 25.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.954 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.0 mt -49.28 -67.82 0.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -119.79 -64.25 1.28 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.618 HG22 ' CG ' ' A' ' 61' ' ' GLU . 5.3 t -129.98 -5.58 4.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.176 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.3 t -147.87 -179.13 6.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.594 HG22 ' HA ' ' A' ' 99' ' ' TYR . 35.6 p -121.46 -177.8 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 91.3 mt -86.78 103.71 15.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 15.5 mm -77.66 -68.72 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -155.02 152.38 25.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.654 0.74 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' A' ' 43' ' ' PHE . 53.8 Cg_endo -69.73 129.65 18.0 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.693 2.262 . . . . 0.0 112.322 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -39.9 151.16 0.24 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.582 0.706 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 150.3 67.91 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 0.0 112.342 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 38.2 mmm-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.955 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -118.73 102.01 8.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.844 0.354 . . . . 0.0 110.896 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.3 p -100.33 41.8 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.33 -149.24 13.02 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.5 m 61.51 41.49 12.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.867 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.5 m -103.61 114.64 29.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.23 -166.34 23.78 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.499 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.4 ptm -57.55 149.99 20.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.758 0.313 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.0 m -147.97 122.71 9.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.3 m -56.71 -175.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -49.93 96.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -129.31 98.96 5.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -175.05 176.38 2.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -110.82 100.7 9.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.495 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 55.2 m -57.62 -26.32 61.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.4 p -73.7 -42.37 61.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.534 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 9.9 t0 -65.07 101.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.588 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 5.5 mtt85 -67.72 -36.3 80.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 t -65.77 -3.82 5.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.468 ' HA ' ' CZ ' ' A' ' 111' ' ' ARG . . . -101.42 -31.34 10.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.588 ' CZ2' ' HG3' ' A' ' 18' ' ' ARG . 57.6 p-90 -124.52 -45.22 1.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.509 ' N ' ' O ' ' A' ' 18' ' ' ARG . 8.3 t80 -58.85 108.19 0.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.902 ' HG3' HD13 ' A' ' 44' ' ' LEU . 6.5 mmt -88.91 -2.77 58.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.834 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.503 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 29.52 -91.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.477 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.504 ' N ' ' O ' ' A' ' 23' ' ' MET . 54.3 Cg_endo -69.71 79.02 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.721 2.281 . . . . 0.0 112.359 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.711 HG21 ' HB3' ' A' ' 23' ' ' MET . 42.3 t -157.5 150.94 8.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.7 m -119.19 169.97 9.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.553 ' HG3' ' CE1' ' A' ' 67' ' ' HIS . 20.6 ttt180 -56.54 -49.39 74.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -46.38 -47.93 18.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.801 ' O ' HG22 ' A' ' 33' ' ' THR . 12.0 tt0 -73.34 -63.81 1.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.425 ' HB2' ' HD3' ' A' ' 46' ' ' ARG . . . -37.72 -37.08 0.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.757 ' HA ' HG21 ' A' ' 65' ' ' VAL . 8.7 mt-30 -64.91 -51.88 59.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.801 HG22 ' O ' ' A' ' 30' ' ' GLU . 6.1 t -59.89 -23.43 63.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.186 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 -82.2 -32.53 29.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 29.2 mt -108.22 5.86 26.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.501 ' N ' ' O ' ' A' ' 32' ' ' GLN . 2.9 tp-100 -83.78 113.68 21.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.6 -29.92 5.15 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.481 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -48.85 162.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 110.949 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.457 ' HB3' ' NH1' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -59.63 160.15 7.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.902 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 41.7 m170 -75.97 120.35 21.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.16 -33.02 2.43 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.55 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 26.0 ttm -53.26 145.53 13.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.808 0.337 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.437 ' HB2' HG12 ' A' ' 59' ' ' VAL . 11.0 p90 -149.91 169.74 20.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.902 HD13 ' HG3' ' A' ' 23' ' ' MET . 1.3 pp -173.12 138.75 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.962 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 43.4 t -112.29 121.22 64.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.438 ' CD ' HG12 ' A' ' 26' ' ' VAL . 14.2 ptt85 -127.51 164.04 22.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -72.13 123.87 23.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.1 t -47.58 165.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.9 p -117.18 -6.93 11.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.846 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.419 HG23 ' H ' ' A' ' 51' ' ' CYS . 1.0 OUTLIER -135.01 -50.62 0.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.128 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.419 ' H ' HG23 ' A' ' 50' ' ' THR . 85.7 m -60.2 135.86 91.1 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.625 0.726 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 53' ' ' GLY . 54.4 Cg_endo -69.73 131.42 21.24 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.66 2.24 . . . . 0.0 112.39 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 52' ' ' PRO . . . 33.56 46.61 0.4 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.491 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -122.9 175.61 6.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.858 0.361 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -131.97 171.5 13.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.2 t -144.14 111.14 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.119 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 tp -85.28 104.06 14.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.97 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.0 m -93.11 130.11 38.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.668 HG22 ' HB2' ' A' ' 66' ' ' SER . 1.2 m -136.01 159.57 39.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.3 t -93.58 99.31 11.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.453 ' CG ' HG22 ' A' ' 102' ' ' THR . 0.3 OUTLIER -140.94 143.14 34.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.887 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.7 m120 54.42 46.14 25.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.9 m 49.17 34.26 5.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.36 168.91 24.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.757 HG21 ' HA ' ' A' ' 32' ' ' GLN . 16.9 t -98.5 108.42 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.668 ' HB2' HG22 ' A' ' 59' ' ' VAL . 38.0 m -82.0 105.71 13.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.553 ' CE1' ' HG3' ' A' ' 28' ' ' ARG . 79.3 m-70 -87.12 93.8 9.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.48 ' O ' HD12 ' A' ' 70' ' ' ILE . 44.4 m-85 -86.2 102.42 13.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 81.6 mt -62.88 142.17 17.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.153 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.48 HD12 ' O ' ' A' ' 68' ' ' TYR . 5.2 mp -121.17 104.17 14.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -64.95 140.98 58.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 43.6 t -96.72 109.35 22.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 34.8 mt -80.74 148.58 65.63 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.624 0.726 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -22.26 32.39 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.66 2.24 . . . . 0.0 112.368 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -85.14 36.41 0.63 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.1 mtm180 50.06 47.93 22.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 76.0 mtt180 -141.92 156.36 45.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.475 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 81.2 m-85 -111.01 139.21 46.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.0 tttp -121.16 105.14 10.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.9 tt -91.97 103.98 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.64 -107.43 2.2 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.547 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -117.09 24.91 10.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.329 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -132.43 158.22 42.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -131.12 149.5 52.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.541 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 98.5 m-85 -138.64 172.94 12.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -69.54 -31.76 70.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 1.019 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 3.3 p80 -174.75 -175.01 0.86 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.504 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 8.7 mt -57.73 -59.73 12.13 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.711 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.7 Cg_endo -69.78 11.01 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.653 2.236 . . . . 0.0 112.335 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 1.019 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -109.56 -23.37 11.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.541 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.4 pp -89.08 -41.79 12.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.444 ' N ' HD12 ' A' ' 91' ' ' LEU . 16.3 mt -58.81 -36.64 74.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.453 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 6.1 pt-20 -71.59 -24.45 61.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.401 ' CD2' ' HE1' ' A' ' 85' ' ' PHE . 22.1 t80 -87.52 -15.27 38.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.435 ' CE1' HD23 ' A' ' 100' ' ' LEU . 3.1 m-85 -91.36 -22.77 20.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.968 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.453 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 6.8 mtpm? -51.51 -20.23 1.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.905 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.434 HG13 ' N ' ' A' ' 98' ' ' HIS . 46.1 pt -111.3 -32.2 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.434 ' N ' HG13 ' A' ' 97' ' ' ILE . 3.3 m-70 -88.76 136.95 32.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.576 ' CD2' HG23 ' A' ' 104' ' ' THR . 12.6 m-85 -89.46 113.75 25.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.958 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.491 HD11 HD21 ' A' ' 105' ' ' LEU . 5.6 mt -54.06 -68.34 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -119.34 -66.23 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.453 HG22 ' CG ' ' A' ' 61' ' ' GLU . 8.1 t -131.77 -3.62 3.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.147 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 5.2 t -149.97 169.43 21.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.576 HG23 ' CD2' ' A' ' 99' ' ' TYR . 66.4 p -109.93 -179.92 3.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.113 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.491 HD21 HD11 ' A' ' 100' ' ' LEU . 74.4 mt -88.96 109.7 20.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 31.2 mm -87.04 -71.6 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -147.94 150.44 35.72 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 0.0 110.957 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 147.62 63.8 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.684 2.256 . . . . 0.0 112.358 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.468 ' HB1' ' HD2' ' A' ' 110' ' ' PRO . . . -61.79 157.36 49.94 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.542 0.687 . . . . 0.0 111.119 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.468 ' HD2' ' HB1' ' A' ' 109' ' ' ALA . 53.7 Cg_endo -69.76 148.78 65.82 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.656 2.237 . . . . 0.0 112.343 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.468 ' CZ ' ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.853 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 m -144.04 168.09 20.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.858 0.361 . . . . 0.0 110.86 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.6 m -152.23 148.21 27.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.69 51.48 4.27 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.8 p -162.89 122.43 2.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 110.884 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 m 47.38 42.41 14.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.63 70.96 0.82 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 35.9 mtt -145.4 107.12 4.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.808 0.337 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.3 m -127.73 144.76 51.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.848 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 11' ' ' ALA . 81.7 p -94.18 -174.99 3.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.848 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 10' ' ' SER . . . -35.69 99.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -129.37 101.63 6.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 31.6 p90 -166.96 168.19 14.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -99.53 106.22 18.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.484 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 45.6 p -64.06 -34.71 78.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 93.6 p -72.33 -36.34 68.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.692 ' OD2' ' HB2' ' A' ' 20' ' ' ALA . 25.1 t70 -68.79 97.22 0.8 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.593 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 13.0 mtm180 -66.69 -37.84 85.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.433 ' HA ' ' NH2' ' A' ' 111' ' ' ARG . 16.3 t -65.47 -3.9 5.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.692 ' HB2' ' OD2' ' A' ' 17' ' ' ASP . . . -101.38 -27.89 12.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.071 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.593 ' CZ2' ' HG3' ' A' ' 18' ' ' ARG . 52.8 p-90 -128.95 -46.05 1.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.954 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.519 ' N ' ' O ' ' A' ' 18' ' ' ARG . 10.0 t80 -54.28 111.62 0.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.683 ' HB3' HG21 ' A' ' 26' ' ' VAL . 7.1 mmt -91.52 -10.01 42.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.815 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.504 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 29.37 -92.03 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.508 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.5 Cg_endo -69.8 79.21 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.646 2.231 . . . . 0.0 112.317 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.683 HG21 ' HB3' ' A' ' 23' ' ' MET . 16.7 t -152.57 141.02 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.159 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 38.7 m -101.62 151.26 22.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.542 ' CZ ' ' CG ' ' A' ' 67' ' ' HIS . 5.4 tpt180 -44.21 -59.25 2.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.881 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -42.71 -43.27 3.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.704 ' O ' HG22 ' A' ' 33' ' ' THR . 10.7 tt0 -72.65 -65.62 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.85 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.491 ' CB ' ' HD3' ' A' ' 46' ' ' ARG . . . -34.47 -40.86 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.113 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.488 ' O ' ' N ' ' A' ' 36' ' ' GLN . 6.2 mt-30 -66.27 -55.29 16.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.704 HG22 ' O ' ' A' ' 30' ' ' GLU . 1.5 t -50.78 -21.73 1.79 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 -84.01 -31.86 25.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.451 ' CD2' ' HG2' ' A' ' 42' ' ' MET . 5.8 mt -114.32 14.23 17.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 32' ' ' GLN . 2.9 tp-100 -89.58 105.63 17.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.44 -16.21 60.48 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -60.61 169.78 1.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.798 0.332 . . . . 0.0 110.909 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.1 ptp85 -68.84 131.85 45.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -46.63 133.69 10.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.34 -42.8 1.46 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.526 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.451 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 25.4 ttm -45.58 140.21 3.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.77 0.319 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.569 ' HB2' HG12 ' A' ' 59' ' ' VAL . 5.7 p90 -144.67 171.14 14.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.693 HD12 ' C ' ' A' ' 44' ' ' LEU . 2.9 pp -175.22 148.67 0.99 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 42.4 t -117.37 111.32 34.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.151 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.491 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -115.58 168.41 10.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -63.79 131.31 47.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.828 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.553 ' HA ' HG23 ' A' ' 56' ' ' VAL . 4.6 t -59.45 167.28 1.98 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 51' ' ' CYS . 7.3 t -88.3 133.46 34.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.869 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.466 ' O ' HG23 ' A' ' 50' ' ' THR . 8.2 t 33.62 33.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.12 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.506 ' N ' ' O ' ' A' ' 49' ' ' SER . 52.9 m -134.9 103.84 10.78 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.549 0.69 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 51' ' ' CYS . 53.7 Cg_endo -69.77 132.56 23.58 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.659 2.239 . . . . 0.0 112.332 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.26 -37.07 2.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -67.83 154.78 40.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.35 . . . . 0.0 110.828 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -130.24 168.45 16.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.553 HG23 ' HA ' ' A' ' 48' ' ' SER . 67.2 t -139.95 109.97 3.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.089 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.484 ' HB3' HD11 ' A' ' 70' ' ' ILE . 3.2 tp -86.57 104.78 16.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.6 m -90.84 132.15 36.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.569 HG12 ' HB2' ' A' ' 43' ' ' PHE . 1.6 m -139.93 155.13 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.102 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.1 t -89.92 115.52 27.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.593 ' CG ' HG22 ' A' ' 102' ' ' THR . 3.0 tm-20 -158.35 139.09 12.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 m120 61.8 50.14 4.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.5 m 45.12 30.86 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -149.03 178.86 8.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.476 HG21 ' HA ' ' A' ' 32' ' ' GLN . 25.4 t -108.45 102.95 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.5 m -77.07 104.24 7.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.542 ' CG ' ' CZ ' ' A' ' 28' ' ' ARG . 62.1 m-70 -90.22 89.38 7.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.836 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -82.0 124.5 29.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 77.3 mt -85.07 140.38 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.135 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.484 HD11 ' HB3' ' A' ' 57' ' ' LEU . 5.2 mp -118.5 105.3 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -69.65 134.71 49.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.1 t -93.96 99.09 11.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.815 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 19.7 mt -68.78 141.94 93.15 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.635 0.731 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -3.04 11.21 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.646 2.231 . . . . 0.0 112.351 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -97.59 40.72 1.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.47 ' CZ ' ' HA ' ' A' ' 76' ' ' ARG . 3.0 mmp_? 49.07 41.0 18.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -148.49 158.18 43.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.506 ' CD1' ' HA ' ' A' ' 87' ' ' HIS . 1.8 m-85 -108.35 162.83 13.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 34.9 tttt -141.52 105.15 4.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.6 tt -98.42 103.22 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.17 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.49 -106.41 2.11 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.464 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -119.73 22.2 11.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.79 0.329 . . . . 0.0 110.84 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -128.69 166.84 18.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -140.95 145.33 35.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.607 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 99.0 m-85 -134.47 -178.99 5.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -75.83 -32.75 59.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 1.02 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 3.2 p80 -172.46 -174.97 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.5 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 8.7 mt -57.62 -60.1 10.93 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.589 0.709 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.9 Cg_endo -69.7 11.86 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.69 2.26 . . . . 0.0 112.39 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 1.02 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -111.38 -21.85 11.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.607 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.3 pp -89.97 -41.09 11.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.0 mt -61.22 -38.45 86.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.406 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 6.7 pt-20 -67.44 -27.71 67.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -82.63 -21.38 35.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.612 ' CE1' HD23 ' A' ' 100' ' ' LEU . 8.7 m-85 -84.82 -22.3 29.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.952 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.406 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 6.7 mtpm? -49.93 -19.17 0.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 49.8 pt -115.73 -32.1 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -88.43 130.41 35.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.742 ' HA ' HG22 ' A' ' 104' ' ' THR . 9.7 m-85 -86.47 114.3 23.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.874 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.612 HD23 ' CE1' ' A' ' 95' ' ' TYR . 5.7 mt -53.0 -68.08 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -117.75 -68.25 0.93 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.593 HG22 ' CG ' ' A' ' 61' ' ' GLU . 10.3 t -126.48 -10.88 6.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 13.6 t -144.32 179.84 6.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.742 HG22 ' HA ' ' A' ' 99' ' ' TYR . 67.8 p -121.68 -174.87 2.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.183 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.502 HD22 ' CB ' ' A' ' 43' ' ' PHE . 52.2 mt -90.74 113.13 25.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 31.9 mm -93.87 -70.33 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.097 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -144.51 147.08 34.99 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.627 0.727 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 138.41 37.89 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.365 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.443 ' HB2' ' CD2' ' A' ' 35' ' ' LEU . . . -47.47 147.98 2.63 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.631 0.729 . . . . 0.0 111.036 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 147.67 63.31 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.693 2.262 . . . . 0.0 112.379 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.433 ' NH2' ' HA ' ' A' ' 19' ' ' SER . 14.0 mtt180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.0 p -102.89 129.68 49.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 0.0 110.908 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.5 m -143.22 114.4 7.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.1 148.54 5.59 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.493 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 t -136.13 145.81 46.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.876 0.369 . . . . 0.0 110.856 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 t -69.27 140.73 54.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.817 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.62 107.88 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.461 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.4 ptt? -70.33 149.15 47.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.726 0.298 . . . . 0.0 110.911 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.7 t -132.91 150.36 52.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.6 p -77.34 165.78 24.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 48.27 51.41 15.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.051 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -99.63 84.94 3.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.557 ' CE1' ' HE3' ' A' ' 96' ' ' LYS . 52.0 p90 -157.87 155.38 29.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -88.24 121.85 31.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.496 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 77.2 p -78.78 -17.46 55.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 95.6 p -84.63 -37.17 21.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 20' ' ' ALA . 12.0 t0 -60.71 88.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.59 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 14.5 mtm180 -58.55 -34.45 71.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.434 ' O ' ' CD ' ' A' ' 111' ' ' ARG . 47.8 t -71.95 2.82 5.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.49 ' N ' ' OD1' ' A' ' 17' ' ' ASP . . . -112.91 -27.41 8.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.117 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.59 ' CZ2' ' HG3' ' A' ' 18' ' ' ARG . 59.5 p-90 -128.34 -41.22 1.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.467 ' N ' ' CE3' ' A' ' 21' ' ' TRP . 5.5 t80 -67.03 124.72 23.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.668 ' O ' ' C ' ' A' ' 24' ' ' GLY . 3.1 mmt -123.27 18.89 9.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.874 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.668 ' C ' ' O ' ' A' ' 23' ' ' MET . . . -1.19 -73.65 0.0 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.517 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.529 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.3 Cg_endo -69.78 74.5 1.29 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.704 2.269 . . . . 0.0 112.338 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.679 HG11 ' HB2' ' A' ' 31' ' ' ALA . 2.5 t -137.71 155.72 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.49 ' N ' ' CG1' ' A' ' 26' ' ' VAL . 6.1 t -115.53 137.66 51.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 27' ' ' SER . 7.0 tpt180 -36.51 -53.52 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -55.41 -41.54 72.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.594 ' O ' HG22 ' A' ' 33' ' ' THR . 8.9 tt0 -65.25 -72.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.679 ' HB2' HG11 ' A' ' 26' ' ' VAL . . . -37.73 -30.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 36' ' ' GLN . 6.1 mt-30 -73.22 -50.0 24.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.594 HG22 ' O ' ' A' ' 30' ' ' GLU . 1.6 t -58.19 -23.9 57.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.447 ' NH1' ' O ' ' A' ' 110' ' ' PRO . 2.0 mtp-105 -81.62 -33.38 31.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.5 mt -107.37 8.16 29.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 32' ' ' GLN . 3.0 tp-100 -86.57 113.13 22.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.95 -16.82 19.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.547 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.41 ' CG ' ' O ' ' A' ' 34' ' ' ARG . 11.8 mm100 -60.09 165.93 3.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.744 0.306 . . . . 0.0 110.925 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.82 158.67 6.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 21.6 m170 -76.66 124.25 27.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.844 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 129.61 -33.48 2.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.527 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 34.1 ttm -48.97 146.51 3.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.816 0.341 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -151.07 165.66 33.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.489 HD12 ' C ' ' A' ' 44' ' ' LEU . 3.4 pp -175.09 137.56 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.0 t -104.12 152.3 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.127 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.622 ' HG2' HG13 ' A' ' 56' ' ' VAL . 5.7 ptt85 -143.7 -178.08 5.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.457 ' CG ' ' O ' ' A' ' 47' ' ' ASP . 1.5 p-10 -95.02 111.96 23.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -50.73 123.18 8.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.81 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.7 m -66.74 148.95 51.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.846 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.6 p 45.28 26.79 0.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.17 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 82.0 m -146.45 105.03 4.03 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.591 0.71 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 128.78 16.54 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.709 2.273 . . . . 0.0 112.362 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.94 -45.55 3.33 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.487 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -51.76 147.77 6.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.412 ' CD2' HD11 ' A' ' 88' ' ' LEU . 22.1 m-85 -136.0 -175.63 4.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.622 HG13 ' HG2' ' A' ' 46' ' ' ARG . 2.5 p -159.94 112.92 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.13 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.0 tp -86.02 105.5 16.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.9 m -91.07 129.53 37.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.62 HG22 ' HB2' ' A' ' 66' ' ' SER . 0.9 OUTLIER -136.34 160.06 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.085 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.5 t -97.14 102.28 14.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.997 ' CD ' HG22 ' A' ' 102' ' ' THR . 9.2 tt0 -152.65 151.65 30.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.467 ' N ' ' HG2' ' A' ' 61' ' ' GLU . 65.8 m-20 61.34 31.59 19.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.2 t 60.74 33.22 20.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -159.63 178.45 9.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 49.6 t -103.55 106.27 19.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.146 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.62 ' HB2' HG22 ' A' ' 59' ' ' VAL . 48.8 m -76.56 104.73 7.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -86.71 74.48 9.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.48 ' O ' HD12 ' A' ' 70' ' ' ILE . 43.9 m-85 -68.76 93.71 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 69.0 mt -63.76 123.06 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.151 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.481 ' CG2' ' HB3' ' A' ' 78' ' ' PHE . 4.5 mp -94.74 107.05 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.136 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -66.4 153.04 43.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.7 t -106.08 102.74 12.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.548 HD21 ' HB2' ' A' ' 79' ' ' LYS . 32.6 mt -73.54 145.89 85.43 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.575 0.702 . . . . 0.0 110.95 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -16.43 37.36 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.65 2.233 . . . . 0.0 112.318 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.45 ' O ' ' NH1' ' A' ' 77' ' ' ARG . 18.6 p-10 -83.15 35.3 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 53.87 37.0 25.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.45 ' NH1' ' O ' ' A' ' 75' ' ' ASN . 0.8 OUTLIER -143.0 167.52 21.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.913 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.481 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 89.6 m-85 -109.87 162.18 14.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.548 ' HB2' HD21 ' A' ' 73' ' ' LEU . 12.3 tttp -141.18 105.31 4.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.409 ' O ' HG23 ' A' ' 80' ' ' ILE . 3.7 tt -84.55 98.37 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 70.85 -97.66 0.65 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.44 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -120.81 22.28 11.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.749 0.309 . . . . 0.0 110.824 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -131.64 147.56 52.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.417 ' HG2' HD11 ' A' ' 73' ' ' LEU . 21.7 mt-10 -119.95 153.98 35.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.613 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 97.9 m-85 -146.24 158.43 43.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -56.99 -29.45 63.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 1.015 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 3.1 p80 -176.02 -175.0 0.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.818 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.51 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 9.8 mt -57.96 -59.41 13.28 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.59 0.71 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.7 Cg_endo -69.78 9.43 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.249 . . . . 0.0 112.356 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 1.015 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -107.16 -16.71 14.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.613 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.1 pp -97.93 -41.69 7.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.47 ' N ' HD12 ' A' ' 91' ' ' LEU . 16.6 mt -58.31 -33.87 69.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -76.61 -24.32 53.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -83.67 -15.2 49.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.498 ' CE1' HD23 ' A' ' 100' ' ' LEU . 5.4 m-85 -92.72 -14.24 28.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.557 ' HE3' ' CE1' ' A' ' 13' ' ' PHE . 36.2 mttp -57.0 -19.77 20.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.883 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.469 HG13 ' N ' ' A' ' 98' ' ' HIS . 42.3 pt -114.33 -34.47 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.469 ' N ' HG13 ' A' ' 97' ' ' ILE . 52.1 m170 -89.21 134.42 34.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.828 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.801 ' CD2' HG23 ' A' ' 104' ' ' THR . 20.5 m-85 -87.81 114.36 24.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.498 HD23 ' CE1' ' A' ' 95' ' ' TYR . 8.1 mt -46.47 -67.09 0.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -126.03 -62.81 1.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.997 HG22 ' CD ' ' A' ' 61' ' ' GLU . 8.2 t -128.52 -7.2 5.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.153 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.1 t -150.02 177.26 10.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.137 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.801 HG23 ' CD2' ' A' ' 99' ' ' TYR . 76.1 p -120.41 -178.36 3.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.173 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 86.0 mt -84.91 117.37 23.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 39.7 mm -94.36 -69.51 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -148.51 143.57 17.5 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.596 0.712 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 132.77 24.03 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.645 ' HB1' ' HD2' ' A' ' 110' ' ' PRO . . . -46.87 162.43 0.27 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.603 0.716 . . . . 0.0 111.093 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.645 ' HD2' ' HB1' ' A' ' 109' ' ' ALA . 53.9 Cg_endo -69.74 146.23 59.72 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.639 2.226 . . . . 0.0 112.366 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.434 ' CD ' ' O ' ' A' ' 19' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.1 t -167.42 151.75 6.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.826 0.346 . . . . 0.0 110.884 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 p -132.97 167.6 19.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -39.91 144.98 0.37 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.47 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.5 p -148.07 139.52 23.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.349 . . . . 0.0 110.882 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -103.88 153.07 21.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.72 88.58 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.473 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.6 mmt -78.49 -55.47 5.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.761 0.315 . . . . 0.0 110.857 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.8 p -105.38 157.2 17.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.2 m -61.53 -57.31 12.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.83 113.48 1.88 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.07 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.4 tpt85 -127.22 93.82 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -172.64 162.04 5.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -102.52 109.94 21.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.493 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 14.9 m -68.51 -23.7 64.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.3 t -73.57 -32.62 64.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.597 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 16.3 t70 -75.76 98.07 4.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.588 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 23.1 mtt180 -64.1 -39.91 95.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.8 t -64.85 -4.2 4.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.593 ' HB2' ' OD2' ' A' ' 17' ' ' ASP . . . -100.68 -26.55 13.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.077 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.597 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 51.7 p-90 -130.51 -47.03 1.07 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.517 ' N ' ' O ' ' A' ' 18' ' ' ARG . 10.0 t80 -58.01 96.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.954 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.573 ' HB3' HG21 ' A' ' 26' ' ' VAL . 6.6 mtt -99.75 37.1 1.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.557 ' C ' ' O ' ' A' ' 23' ' ' MET . . . -22.07 -67.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 72.07 1.46 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.728 2.285 . . . . 0.0 112.329 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.573 HG21 ' HB3' ' A' ' 23' ' ' MET . 15.7 t -148.18 124.72 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -81.19 149.19 29.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -48.43 -58.77 4.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -45.97 -30.23 1.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.758 ' O ' HG22 ' A' ' 33' ' ' THR . 11.3 tt0 -80.42 -69.29 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.677 ' HB1' HD21 ' A' ' 44' ' ' LEU . . . -36.24 -29.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 30' ' ' GLU . 5.3 mt-30 -71.5 -50.65 29.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.758 HG22 ' O ' ' A' ' 30' ' ' GLU . 10.9 t -59.44 -26.06 64.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -76.63 -33.62 58.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 mt -112.19 14.48 20.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 32' ' ' GLN . 2.9 tp-100 -88.5 106.19 18.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.38 -6.65 83.02 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.497 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -69.44 164.44 23.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.751 0.31 . . . . 0.0 110.94 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -58.16 147.66 29.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 56.3 m170 -63.48 117.8 7.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 42' ' ' MET . . . 140.41 -47.18 0.89 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.465 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.456 ' HG2' ' HB2' ' A' ' 109' ' ' ALA . 17.9 ttm -37.24 143.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.341 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.682 ' HB2' HG12 ' A' ' 59' ' ' VAL . 5.5 p90 -151.5 162.95 40.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.677 HD21 ' HB1' ' A' ' 31' ' ' ALA . 1.1 pp -164.36 142.17 6.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 23' ' ' MET . 57.7 t -112.03 114.85 48.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.167 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.556 ' HD3' HD11 ' A' ' 44' ' ' LEU . 5.7 ptt85 -120.36 166.64 13.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -65.67 139.06 58.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.812 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.29 -175.52 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.849 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 51' ' ' CYS . 10.7 m -52.33 -173.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.813 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.428 HG22 ' H ' ' A' ' 50' ' ' THR . 0.1 OUTLIER -41.23 -22.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.166 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 49' ' ' SER . 76.8 m -74.52 111.43 12.92 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.61 0.719 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 51' ' ' CYS . 53.8 Cg_endo -69.8 145.81 58.04 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.655 2.237 . . . . 0.0 112.33 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 105.81 -56.42 0.52 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.515 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -60.84 158.86 12.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.789 0.328 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -136.13 166.1 24.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.625 HG22 HG12 ' A' ' 69' ' ' ILE . 69.7 t -138.72 111.96 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.479 ' CB ' HD11 ' A' ' 70' ' ' ILE . 4.6 tp -89.62 100.78 13.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 44.1 m -90.94 126.06 35.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.682 HG12 ' HB2' ' A' ' 43' ' ' PHE . 1.5 m -133.8 157.9 42.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.117 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.0 t -91.05 101.67 14.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.574 ' CG ' HG22 ' A' ' 102' ' ' THR . 13.7 tt0 -143.75 144.54 31.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 57.84 53.08 7.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.1 m 45.32 30.94 0.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.8 ptt-85 -156.0 176.61 12.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 39.9 t -99.04 97.03 5.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.5 m -70.11 97.99 1.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.857 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -80.39 104.11 10.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -100.57 97.55 8.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.962 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.625 HG12 HG22 ' A' ' 56' ' ' VAL . 93.1 mt -64.78 136.01 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.479 HD11 ' CB ' ' A' ' 57' ' ' LEU . 5.2 mp -102.74 113.55 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.17 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -75.02 131.64 40.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.2 t -91.08 106.19 18.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.738 HD11 ' HB2' ' A' ' 79' ' ' LYS . 18.3 mt -82.98 151.38 63.61 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.629 0.728 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -23.97 30.37 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.665 2.243 . . . . 0.0 112.362 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 76' ' ' ARG . 4.6 t-20 -78.67 49.32 0.88 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.845 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 75' ' ' ASN . 6.0 mmm180 35.87 42.8 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.2 mtp-105 -144.32 161.95 37.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -110.18 160.79 16.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.738 ' HB2' HD11 ' A' ' 73' ' ' LEU . 75.5 tttt -141.63 106.12 4.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.572 ' O ' HG23 ' A' ' 80' ' ' ILE . 15.1 tt -96.62 102.44 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.31 -108.08 2.58 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.537 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -118.11 21.35 12.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.71 0.29 . . . . 0.0 110.811 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -129.4 163.27 26.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -137.85 150.48 47.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.567 ' CD1' ' HA ' ' A' ' 91' ' ' LEU . 97.2 m-85 -137.96 -178.47 5.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.858 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -76.89 -29.83 55.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 1.008 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 2.7 p80 -175.88 -174.99 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.496 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 9.0 mt -56.5 -60.02 10.43 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.57 0.7 . . . . 0.0 110.921 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.2 Cg_endo -69.79 9.1 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.645 2.23 . . . . 0.0 112.346 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 1.008 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -109.01 -19.47 13.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.567 ' HA ' ' CD1' ' A' ' 85' ' ' PHE . 3.1 pp -94.73 -40.37 9.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.9 mt -64.17 -39.62 94.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.471 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 5.5 pt-20 -65.33 -25.21 67.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.631 ' CE2' ' CD2' ' A' ' 98' ' ' HIS . 31.7 t80 -84.6 -24.49 29.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.735 ' CE1' HD23 ' A' ' 100' ' ' LEU . 17.7 m-85 -84.14 -19.97 33.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.471 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 7.9 mtpm? -53.02 -19.18 2.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.917 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.437 HG13 ' N ' ' A' ' 98' ' ' HIS . 35.7 pt -116.24 -34.96 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.156 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.631 ' CD2' ' CE2' ' A' ' 94' ' ' PHE . 3.5 m-70 -85.28 146.27 27.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.824 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.689 ' CD2' HG23 ' A' ' 104' ' ' THR . 3.3 m-85 -96.45 113.94 25.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.735 HD23 ' CE1' ' A' ' 95' ' ' TYR . 8.9 mt -48.77 -66.63 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.939 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -123.6 -63.36 1.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.574 HG22 ' CG ' ' A' ' 61' ' ' GLU . 11.8 t -127.55 -8.93 5.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 4.4 t -144.46 -175.95 4.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.689 HG23 ' CD2' ' A' ' 99' ' ' TYR . 44.5 p -124.39 -177.21 3.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.565 HD12 ' HB2' ' A' ' 95' ' ' TYR . 70.0 mt -91.81 105.01 17.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 25.5 mm -79.04 -70.75 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -151.32 152.56 31.18 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.586 0.708 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 140.12 41.81 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.637 2.225 . . . . 0.0 112.382 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.492 ' O ' ' HE1' ' A' ' 23' ' ' MET . . . -57.98 151.51 44.3 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.562 0.696 . . . . 0.0 111.087 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 149.55 66.75 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.697 2.264 . . . . 0.0 112.322 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.4 p -126.32 148.7 49.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.36 . . . . 0.0 110.859 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.0 p -157.05 175.37 14.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.81 163.79 32.94 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.454 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.8 t 52.5 42.01 31.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.87 0.367 . . . . 0.0 110.889 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.4 m -63.22 -58.81 5.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.69 91.47 0.78 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.517 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.3 mtp -80.25 -53.88 6.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.793 0.33 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.4 m -58.73 145.68 39.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.815 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 t -70.1 -56.57 6.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.812 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.67 89.09 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.097 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -125.25 90.26 3.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.495 ' CE1' ' NZ ' ' A' ' 96' ' ' LYS . 37.7 p90 -148.86 155.8 41.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -83.05 91.36 7.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.49 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 67.7 m -58.68 -24.09 60.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.6 m -77.88 -33.51 52.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.603 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 7.8 t70 -71.51 102.74 2.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.821 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.599 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 6.8 mtm-85 -66.5 -34.18 77.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.2 t -70.52 2.32 4.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.82 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -109.66 -26.2 10.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.082 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.603 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 56.8 p-90 -130.38 -43.55 1.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.448 ' N ' ' CE3' ' A' ' 21' ' ' TRP . 9.8 t80 -64.51 105.66 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.742 ' HB3' HG21 ' A' ' 26' ' ' VAL . 4.5 mmt -88.48 -1.48 58.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.503 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 28.67 -91.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.521 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.5 Cg_endo -69.77 79.49 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.706 2.271 . . . . 0.0 112.341 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.742 HG21 ' HB3' ' A' ' 23' ' ' MET . 24.9 t -154.09 130.02 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.9 m -89.79 162.03 15.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 28' ' ' ARG . 19.1 ttp-105 -54.48 -54.28 43.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -46.3 -31.08 2.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.572 ' O ' HG22 ' A' ' 33' ' ' THR . 10.4 tt0 -83.0 -70.6 0.54 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.451 ' HB1' HD11 ' A' ' 44' ' ' LEU . . . -35.83 -29.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.041 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.511 ' N ' ' O ' ' A' ' 30' ' ' GLU . 5.5 mt-30 -72.52 -53.48 11.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.572 HG22 ' O ' ' A' ' 30' ' ' GLU . 3.9 t -58.27 -23.05 54.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.448 ' NH1' ' O ' ' A' ' 110' ' ' PRO . 1.6 mtp-105 -78.67 -35.71 44.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.421 ' CD2' ' HG2' ' A' ' 42' ' ' MET . 12.3 mt -107.52 4.22 25.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 32' ' ' GLN . 3.0 tp-100 -82.01 117.65 22.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.25 -21.36 7.17 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.446 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -57.96 169.23 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 110.934 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.23 154.69 34.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -69.59 124.0 22.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.414 ' HA3' ' CG1' ' A' ' 106' ' ' ILE . . . 132.6 -39.23 1.77 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.519 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.431 ' HG2' ' HB2' ' A' ' 109' ' ' ALA . 23.1 ttm -45.65 143.99 1.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.578 ' HB2' HG12 ' A' ' 59' ' ' VAL . 2.6 p90 -150.36 171.01 17.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.451 HD11 ' HB1' ' A' ' 31' ' ' ALA . 4.3 pp -174.84 149.25 1.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 30.6 t -120.55 122.67 68.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.47 ' NH2' ' CA ' ' A' ' 28' ' ' ARG . 4.3 ptt85 -125.24 179.82 4.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -82.02 109.87 16.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.419 ' CB ' HG23 ' A' ' 56' ' ' VAL . 1.6 p -47.37 154.94 0.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.6 t -120.84 -34.67 3.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 76.4 p -77.41 -41.45 39.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.146 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 97.8 m -96.18 142.73 24.98 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.57 0.7 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 53' ' ' GLY . 53.7 Cg_endo -69.75 134.82 28.94 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.652 2.234 . . . . 0.0 112.36 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 52' ' ' PRO . . . 34.74 52.81 0.82 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -131.08 172.07 12.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -117.74 165.55 13.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.945 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.419 HG23 ' CB ' ' A' ' 48' ' ' SER . 77.1 t -140.72 108.49 2.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.125 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.816 ' HB2' HD11 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -79.97 106.52 12.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.7 m -97.11 133.52 41.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.578 HG12 ' HB2' ' A' ' 43' ' ' PHE . 1.2 m -143.89 154.2 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.142 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.2 t -88.41 101.39 13.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.657 ' CD ' HG22 ' A' ' 102' ' ' THR . 12.5 tt0 -149.77 147.44 28.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.416 ' N ' ' HG2' ' A' ' 61' ' ' GLU . 44.1 m-20 56.74 54.88 6.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.4 t 41.69 30.39 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.2 ptt-85 -155.08 176.52 12.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.461 HG21 ' HA ' ' A' ' 32' ' ' GLN . 19.1 t -104.42 100.67 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.509 ' HB3' HG22 ' A' ' 59' ' ' VAL . 0.6 OUTLIER -64.42 112.11 2.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.844 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -97.76 82.91 3.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.545 ' O ' HD12 ' A' ' 70' ' ' ILE . 50.9 m-85 -78.79 114.03 17.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.929 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 80.2 mt -73.2 129.08 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.816 HD11 ' HB2' ' A' ' 57' ' ' LEU . 3.7 mp -106.17 106.53 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -70.83 140.72 51.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.4 t -100.99 100.65 11.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.816 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' A' ' 79' ' ' LYS . 19.4 mt -73.77 145.49 84.34 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.621 0.724 . . . . 0.0 110.942 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -4.69 14.53 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.701 2.267 . . . . 0.0 112.354 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -92.25 30.85 1.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 57.01 32.49 21.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -143.26 159.39 42.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -105.25 162.46 13.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.571 ' HB2' HD11 ' A' ' 73' ' ' LEU . 71.4 tttt -135.97 104.98 5.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.572 ' O ' HG23 ' A' ' 80' ' ' ILE . 5.8 tt -96.61 97.11 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.15 -108.4 2.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.453 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -118.71 28.12 8.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.793 0.33 . . . . 0.0 110.898 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -137.4 164.98 27.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -134.98 153.55 52.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.58 ' CD2' ' HB3' ' A' ' 91' ' ' LEU . 97.9 m-85 -139.95 169.83 16.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -67.19 -31.3 71.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.615 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 2.2 p80 -177.45 -175.02 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.523 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 8.8 mt -56.63 -58.92 14.11 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.628 0.728 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.7 Cg_endo -69.75 21.55 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.677 2.252 . . . . 0.0 112.343 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.615 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -117.92 -39.37 3.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.075 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.58 ' HB3' ' CD2' ' A' ' 85' ' ' PHE . 3.8 pp -73.37 -42.17 62.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.486 ' N ' HD12 ' A' ' 91' ' ' LEU . 13.1 mt -60.0 -38.7 83.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.477 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 2.8 mt-10 -64.8 -28.29 69.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -86.44 -15.93 38.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.603 ' CE1' HD23 ' A' ' 100' ' ' LEU . 5.9 m-85 -91.41 -24.79 19.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.993 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.495 ' NZ ' ' CE1' ' A' ' 13' ' ' PHE . 12.6 mtpp -49.22 -19.87 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.909 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 50.1 pt -114.87 -31.54 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.136 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -87.98 144.03 26.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.776 ' CD2' HG23 ' A' ' 104' ' ' THR . 5.2 m-85 -94.35 113.6 25.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.603 HD23 ' CE1' ' A' ' 95' ' ' TYR . 8.0 mt -51.93 -70.2 0.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -115.43 -66.3 1.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.657 HG22 ' CD ' ' A' ' 61' ' ' GLU . 10.2 t -127.69 -11.45 5.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.175 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.4 HG23 ' N ' ' A' ' 104' ' ' THR . 1.3 t -140.67 -178.58 5.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.776 HG23 ' CD2' ' A' ' 99' ' ' TYR . 52.0 p -123.45 175.98 6.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 83.3 mt -83.59 110.97 18.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.414 ' CG1' ' HA3' ' A' ' 41' ' ' GLY . 32.0 mm -87.3 -71.36 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -147.33 141.68 16.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.609 0.719 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 43' ' ' PHE . 53.6 Cg_endo -69.76 130.21 18.95 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.702 2.268 . . . . 0.0 112.304 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.431 ' HB2' ' HG2' ' A' ' 42' ' ' MET . . . -48.82 149.49 3.12 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.623 0.725 . . . . 0.0 111.075 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.448 ' O ' ' NH1' ' A' ' 34' ' ' ARG . 53.6 Cg_endo -69.74 146.06 59.15 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.74 2.293 . . . . 0.0 112.334 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.837 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 p -164.92 120.27 1.38 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.889 0.376 . . . . 0.0 110.822 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 p -124.69 173.61 8.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.91 -144.81 15.9 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.517 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t 66.07 42.31 3.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.848 0.356 . . . . 0.0 110.848 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.2 t -166.06 161.89 17.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.6 111.31 2.47 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.519 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.431 ' SD ' ' C ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -64.14 148.85 48.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.764 0.316 . . . . 0.0 110.879 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 87.7 p -142.95 117.11 9.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 11' ' ' ALA . 85.8 p -69.36 -175.02 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 10' ' ' SER . . . -34.93 99.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.112 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.2 tpt85 -140.73 106.13 5.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -169.23 174.24 6.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -101.6 86.76 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.826 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.487 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 66.5 m -50.66 -18.05 0.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.5 t -81.19 -42.1 21.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.608 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 11.1 t0 -58.97 89.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.593 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 15.8 mtm180 -57.09 -37.69 72.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.4 t -69.56 0.33 5.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.495 ' N ' ' OD1' ' A' ' 17' ' ' ASP . . . -108.72 -25.86 10.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.078 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.608 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 42.3 p-90 -129.69 -44.54 1.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.489 ' HB2' ' CZ3' ' A' ' 21' ' ' TRP . 15.9 t80 -69.1 97.67 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.888 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.607 ' HB3' HG21 ' A' ' 26' ' ' VAL . 5.1 mtt -98.18 35.06 1.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.599 ' C ' ' O ' ' A' ' 23' ' ' MET . . . -19.56 -69.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 72.42 1.44 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.681 2.254 . . . . 0.0 112.365 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.607 HG21 ' HB3' ' A' ' 23' ' ' MET . 9.5 t -147.36 142.18 19.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.113 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.0 m -93.29 153.82 18.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -52.75 -54.91 27.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -50.68 -42.18 56.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.712 ' O ' HG22 ' A' ' 33' ' ' THR . 9.8 tt0 -64.47 -64.63 0.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 30' ' ' GLU . . . -36.18 -36.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.107 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 36' ' ' GLN . 3.8 mt-30 -65.6 -54.05 33.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.712 HG22 ' O ' ' A' ' 30' ' ' GLU . 4.1 t -57.13 -23.63 48.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.418 ' NH1' ' HB3' ' A' ' 34' ' ' ARG . 1.5 mtp-105 -81.09 -34.11 32.88 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.592 HD11 ' CD2' ' A' ' 44' ' ' LEU . 14.0 mt -113.6 17.4 18.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 32' ' ' GLN . 3.0 tp-100 -95.47 111.15 23.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.89 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.28 -22.08 34.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.53 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -60.11 164.1 4.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.784 0.326 . . . . 0.0 110.936 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.416 HH11 ' CE ' ' A' ' 42' ' ' MET . 0.1 OUTLIER -57.91 154.8 11.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 50.8 m170 -70.42 117.54 12.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 139.77 -40.91 1.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.432 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 30.0 ttm -44.86 142.01 1.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.418 ' HB2' HG12 ' A' ' 59' ' ' VAL . 11.0 p90 -144.84 172.29 13.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.592 ' CD2' HD11 ' A' ' 35' ' ' LEU . 3.5 pp -173.38 137.46 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.467 HG11 HD11 ' A' ' 88' ' ' LEU . 47.4 t -106.38 103.6 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.539 HH12 HG11 ' A' ' 56' ' ' VAL . 0.6 OUTLIER -106.2 177.98 4.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -80.01 131.55 35.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.565 ' HB2' HG23 ' A' ' 56' ' ' VAL . 32.5 t -76.36 95.26 3.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.4 t -56.47 -51.97 66.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.87 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.699 HG23 ' H ' ' A' ' 51' ' ' CYS . 0.2 OUTLIER -47.74 -63.75 0.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.699 ' H ' HG23 ' A' ' 50' ' ' THR . 88.6 m -101.5 124.18 41.81 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.599 0.714 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 130.42 19.39 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.683 2.255 . . . . 0.0 112.329 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.23 -46.69 2.0 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.48 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -63.57 163.35 11.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.765 0.316 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.43 ' CE2' ' CE2' ' A' ' 78' ' ' PHE . 20.5 m-85 -118.03 169.12 9.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.565 HG23 ' HB2' ' A' ' 48' ' ' SER . 84.4 t -138.19 108.87 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.128 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.7 tp -88.48 102.11 14.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.4 m -90.74 129.74 36.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.557 HG22 ' HB3' ' A' ' 66' ' ' SER . 1.0 OUTLIER -135.31 151.82 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.196 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.8 t -84.54 118.63 24.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.588 ' HG3' HG22 ' A' ' 102' ' ' THR . 2.1 tm-20 -160.68 137.99 9.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.2 m120 57.22 52.47 8.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.0 m 46.03 30.63 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.427 ' CG ' ' O ' ' A' ' 61' ' ' GLU . 0.1 OUTLIER -146.03 -178.71 6.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.466 HG21 ' HA ' ' A' ' 32' ' ' GLN . 78.6 t -115.16 96.89 4.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.557 ' HB3' HG22 ' A' ' 59' ' ' VAL . 1.0 OUTLIER -66.33 118.13 9.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.831 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -97.91 97.76 9.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -90.42 101.89 14.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.944 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 83.0 mt -68.6 137.14 25.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.456 ' CG2' ' HB3' ' A' ' 78' ' ' PHE . 5.3 mp -116.99 107.2 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -71.98 129.53 38.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.6 t -82.82 111.97 19.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.831 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.528 HD21 ' HB2' ' A' ' 79' ' ' LYS . 37.6 mt -78.37 151.05 77.62 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.569 0.7 . . . . 0.0 110.94 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -23.82 30.36 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.656 2.237 . . . . 0.0 112.396 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -86.29 49.52 1.81 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.7 mmm-85 39.5 49.15 1.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -145.52 158.15 43.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.456 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 88.5 m-85 -108.99 154.11 22.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.528 ' HB2' HD21 ' A' ' 73' ' ' LEU . 63.2 tttt -133.5 102.17 5.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.7 tt -95.04 110.13 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 70.61 -108.41 2.47 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.508 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -118.94 23.35 11.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.731 0.301 . . . . 0.0 110.828 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -131.95 163.98 27.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -136.46 143.23 43.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.594 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 97.5 m-85 -128.69 -179.37 5.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.857 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -81.23 -27.32 35.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 1.002 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 3.1 p80 -175.84 -174.99 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.536 ' HB3' ' CH2' ' A' ' 21' ' ' TRP . 3.8 mm? -57.16 -60.19 10.41 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.627 0.727 . . . . 0.0 110.948 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 54.0 Cg_endo -69.72 8.49 0.75 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.688 2.259 . . . . 0.0 112.328 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 1.002 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -105.93 -16.63 14.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.111 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.594 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 2.7 pp -100.99 -40.04 7.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.0 mt -63.65 -37.2 86.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.947 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -73.18 -26.17 61.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -82.59 -25.74 32.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.444 ' CE1' HD23 ' A' ' 100' ' ' LEU . 6.8 m-85 -81.31 -17.03 50.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.6 mttm -49.22 -21.9 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 48.6 pt -111.97 -32.26 2.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.507 ' O ' HG22 ' A' ' 104' ' ' THR . 4.4 m-70 -86.63 146.39 26.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.657 ' CD2' HG23 ' A' ' 104' ' ' THR . 2.2 m-85 -101.64 114.65 28.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.444 HD23 ' CE1' ' A' ' 95' ' ' TYR . 5.7 mt -51.84 -66.84 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.957 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -117.94 -67.74 0.97 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.588 HG22 ' HG3' ' A' ' 61' ' ' GLU . 12.9 t -130.68 -3.88 4.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 9.7 t -146.09 175.91 10.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.188 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.657 HG23 ' CD2' ' A' ' 99' ' ' TYR . 81.7 p -116.03 177.29 4.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.125 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.0 mt -86.27 114.5 23.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 24.4 mm -93.16 -70.28 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -149.46 144.09 17.52 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.588 0.709 . . . . 0.0 110.905 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 138.21 37.24 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -50.49 150.9 4.34 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.575 0.703 . . . . 0.0 111.134 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 148.82 65.77 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.66 2.24 . . . . 0.0 112.374 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.921 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.776 0.322 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -134.27 79.3 1.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.418 ' CG ' ' HD3' ' A' ' 108' ' ' PRO . 32.9 p90 -152.91 151.85 30.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -84.47 119.68 25.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.825 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.421 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 18.6 p -76.64 -34.1 58.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 m -82.58 17.64 1.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.553 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 11.4 t70 -119.28 91.45 3.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.592 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 5.8 mtm-85 -59.54 -34.81 73.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 t -71.48 3.22 4.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.858 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.431 ' HB2' ' OD1' ' A' ' 17' ' ' ASP . . . -112.78 -27.02 8.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.113 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.592 ' CZ2' ' HG3' ' A' ' 18' ' ' ARG . 48.2 p-90 -129.34 -41.47 1.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.438 ' N ' ' O ' ' A' ' 18' ' ' ARG . 7.4 t80 -66.05 116.41 7.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.726 ' HB3' HG21 ' A' ' 26' ' ' VAL . 4.6 mmt -96.04 0.67 51.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.514 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 28.96 -91.7 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.439 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.509 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.5 Cg_endo -69.77 78.72 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.7 2.267 . . . . 0.0 112.293 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.726 HG21 ' HB3' ' A' ' 23' ' ' MET . 33.0 t -155.42 135.59 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.8 m -103.69 161.4 13.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.5 ttt85 -49.11 -54.01 18.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -44.2 -43.88 7.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.614 ' O ' HG22 ' A' ' 33' ' ' THR . 17.2 tt0 -74.8 -67.28 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 30' ' ' GLU . . . -35.39 -40.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.085 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.496 ' O ' ' N ' ' A' ' 36' ' ' GLN . 4.4 mt-30 -61.84 -53.56 54.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.614 HG22 ' O ' ' A' ' 30' ' ' GLU . 1.3 t -59.15 -22.96 61.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.067 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -81.39 -30.82 33.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.446 ' CD2' ' HG2' ' A' ' 42' ' ' MET . 15.3 mt -112.05 7.82 19.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 32' ' ' GLN . 1.1 tp60 -84.55 107.17 16.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.98 -15.33 53.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.536 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -59.41 161.31 5.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 110.918 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 4.5 ptp180 -51.39 141.34 15.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 47.2 m170 -61.94 124.71 21.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.41 -30.62 4.22 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.441 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.446 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 31.8 ttm -51.11 144.19 9.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.462 ' CB ' HG22 ' A' ' 59' ' ' VAL . 2.2 p90 -151.05 169.85 20.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.517 HD13 ' HG3' ' A' ' 23' ' ' MET . 4.3 pp -171.14 152.11 3.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.7 t -122.53 119.83 59.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.528 ' HD2' HG12 ' A' ' 26' ' ' VAL . 16.5 ptt-85 -123.79 170.47 10.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -72.66 117.55 14.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.7 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.797 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.844 0.354 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -127.66 170.33 12.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 23.5 t -137.42 113.19 11.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.46 ' CB ' HD11 ' A' ' 70' ' ' ILE . 26.1 tp -90.27 90.54 8.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.3 m -74.72 119.17 18.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.478 ' O ' ' N ' ' A' ' 66' ' ' SER . 2.2 t -118.84 154.63 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.09 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.464 ' N ' ' CG1' ' A' ' 59' ' ' VAL . 11.9 t -102.72 119.69 39.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.448 ' CG ' ' CG2' ' A' ' 102' ' ' THR . 6.8 tp10 -171.98 149.79 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.876 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 60.28 39.31 19.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.0 m 54.79 26.44 7.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -146.22 -177.26 5.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.415 HG21 ' HA ' ' A' ' 32' ' ' GLN . 45.8 t -109.77 100.84 11.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 59' ' ' VAL . 3.9 m -74.09 97.68 2.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -80.15 108.51 13.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.661 ' HB3' HD11 ' A' ' 80' ' ' ILE . 47.6 m-85 -99.56 94.87 6.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 88.4 mt -60.22 143.0 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.503 HD12 ' O ' ' A' ' 68' ' ' TYR . 5.0 mp -118.64 97.56 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -60.11 146.32 43.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.7 t -98.11 102.88 14.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 71.5 mt -74.77 147.71 84.44 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.645 0.736 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -20.59 34.9 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.691 2.261 . . . . 0.0 112.339 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -87.45 38.56 0.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? 48.54 42.55 19.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 69.2 mtt180 -134.6 166.77 22.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.452 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 58.2 m-85 -118.71 136.21 54.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -118.55 101.47 8.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.661 HD11 ' HB3' ' A' ' 68' ' ' TYR . 5.5 tt -91.46 98.86 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.109 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.78 -108.54 2.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.516 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -117.84 24.8 10.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.734 0.302 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -131.97 161.55 32.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -134.97 149.94 50.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.569 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 98.9 m-85 -140.22 -178.7 5.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -76.11 -30.28 58.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 1.011 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 2.9 p80 -175.97 -175.03 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.497 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 8.5 mt -56.45 -60.13 10.06 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.614 0.721 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.9 Cg_endo -69.75 9.78 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 1.011 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -109.94 -16.13 13.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.569 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.0 pp -97.05 -41.03 8.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.409 ' N ' HD12 ' A' ' 91' ' ' LEU . 8.4 mt -61.73 -34.74 76.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.45 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 11.7 pt-20 -71.9 -24.84 61.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.564 ' CE2' ' CE1' ' A' ' 98' ' ' HIS . 29.6 t80 -84.81 -17.47 38.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.617 ' CE1' HD23 ' A' ' 100' ' ' LEU . 10.1 m-85 -92.7 -18.57 22.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.45 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 23.4 mtpt -52.29 -18.72 1.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.418 HG13 ' N ' ' A' ' 98' ' ' HIS . 48.8 pt -117.2 -33.9 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.564 ' CE1' ' CE2' ' A' ' 94' ' ' PHE . 62.8 m170 -83.84 143.81 29.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.766 ' HA ' HG22 ' A' ' 104' ' ' THR . 6.7 m-85 -95.36 114.59 26.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.661 HD13 ' CE2' ' A' ' 68' ' ' TYR . 6.8 mt -51.02 -68.66 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.938 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -120.96 -64.86 1.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.448 ' CG2' ' CG ' ' A' ' 61' ' ' GLU . 14.2 t -126.21 -8.07 6.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.9 t -146.56 -176.23 5.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.16 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.766 HG22 ' HA ' ' A' ' 99' ' ' TYR . 31.0 p -125.74 174.07 8.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.184 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.571 HD12 ' HB2' ' A' ' 95' ' ' TYR . 41.1 mt -81.1 111.81 17.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.8 mm -87.67 -68.35 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -151.64 151.99 29.59 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.669 0.747 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.418 ' HD3' ' CG ' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.85 143.46 50.5 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.682 2.255 . . . . 0.0 112.348 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.512 ' HB1' ' HD2' ' A' ' 110' ' ' PRO . . . -51.33 158.5 1.35 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.566 0.698 . . . . 0.0 111.09 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.512 ' HD2' ' HB1' ' A' ' 109' ' ' ALA . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.177 0 C-N-CA 122.724 2.283 . . . . 0.0 112.333 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.784 0.326 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? -110.43 93.36 4.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -147.83 167.05 25.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -96.02 91.37 5.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.477 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 92.9 p -55.35 -16.46 3.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.807 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.6 t -83.07 -40.95 19.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.555 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 11.9 t0 -59.85 88.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.843 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.582 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 22.7 mtt180 -57.9 -37.24 73.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.5 t -69.61 -0.92 7.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.461 ' N ' ' OD1' ' A' ' 17' ' ' ASP . . . -107.83 -28.05 9.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.582 ' CZ2' ' HG3' ' A' ' 18' ' ' ARG . 60.8 p-90 -127.14 -43.06 1.67 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.479 ' N ' ' O ' ' A' ' 18' ' ' ARG . 20.8 t80 -68.93 113.15 6.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.73 ' HB3' HG21 ' A' ' 26' ' ' VAL . 6.4 mmt -94.46 -3.53 49.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.53 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 26.09 -89.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.545 ' N ' ' O ' ' A' ' 23' ' ' MET . 54.1 Cg_endo -69.75 78.86 0.98 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.629 2.219 . . . . 0.0 112.323 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.73 HG21 ' HB3' ' A' ' 23' ' ' MET . 10.5 t -151.65 135.19 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.2 t -82.83 158.76 22.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.401 ' HA ' ' CZ ' ' A' ' 46' ' ' ARG . 33.8 ttt180 -60.75 -48.85 79.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -53.5 -33.12 53.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.73 ' O ' HG22 ' A' ' 33' ' ' THR . 15.7 tt0 -73.85 -68.84 0.48 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.415 ' HB2' ' HD3' ' A' ' 46' ' ' ARG . . . -36.6 -29.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.557 ' HA ' HG21 ' A' ' 65' ' ' VAL . 5.0 mt-30 -72.49 -51.21 21.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.73 HG22 ' O ' ' A' ' 30' ' ' GLU . 9.7 t -58.96 -26.17 64.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.153 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 110' ' ' PRO . 1.7 mtp-105 -79.39 -32.7 43.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.45 HD13 ' C ' ' A' ' 58' ' ' SER . 8.3 mt -110.02 10.92 24.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.497 ' N ' ' O ' ' A' ' 32' ' ' GLN . 1.5 tp60 -90.52 111.69 23.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.75 -18.34 26.25 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -58.13 172.27 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.76 0.314 . . . . 0.0 110.953 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -66.59 140.98 57.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 56.6 m170 -60.01 124.7 21.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 132.13 -35.27 2.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.485 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 30.0 ttm -53.11 147.11 10.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.859 0.362 . . . . 0.0 110.836 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 108' ' ' PRO . 5.2 p90 -154.83 170.93 20.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.566 ' C ' HD12 ' A' ' 44' ' ' LEU . 4.1 pp -169.14 155.13 6.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.467 ' O ' ' CD1' ' A' ' 22' ' ' TYR . 20.1 t -126.14 108.44 19.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.415 ' HD3' ' HB2' ' A' ' 31' ' ' ALA . 19.0 ptt-85 -114.36 173.91 6.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -76.54 123.84 26.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 4.8 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' A' ' 48' ' ' SER . 5.1 m-20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.844 0.354 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -125.23 166.76 15.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.3 t -134.66 119.43 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.624 ' HB2' HD11 ' A' ' 70' ' ' ILE . 26.6 tp -93.05 89.13 6.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.45 ' C ' HD13 ' A' ' 35' ' ' LEU . 45.4 m -77.49 117.64 19.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.538 HG13 ' HB2' ' A' ' 66' ' ' SER . 0.1 OUTLIER -130.12 141.25 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.106 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.5 t -79.6 118.27 21.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.503 ' CG ' HG22 ' A' ' 102' ' ' THR . 4.0 tp10 -169.98 143.66 2.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 62.05 50.86 3.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.943 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.2 t 44.35 33.38 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 42.2 ptt85 -162.95 173.24 13.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.557 HG21 ' HA ' ' A' ' 32' ' ' GLN . 59.9 t -98.47 106.26 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.538 ' HB2' HG13 ' A' ' 59' ' ' VAL . 61.4 m -73.46 89.51 1.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -68.46 85.07 0.28 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.61 ' HB3' HD11 ' A' ' 80' ' ' ILE . 21.3 m-85 -80.11 92.89 5.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 91.7 mt -61.38 144.71 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.624 HD11 ' HB2' ' A' ' 57' ' ' LEU . 5.2 mp -117.43 109.61 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -72.69 133.69 44.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.3 t -91.72 111.32 22.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.428 HD11 ' HB2' ' A' ' 79' ' ' LYS . 22.9 mt -83.55 149.77 58.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.608 0.718 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -7.89 22.21 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.707 2.271 . . . . 0.0 112.36 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.99 24.52 4.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 40.8 mtt85 61.92 26.86 16.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.28 157.99 35.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.836 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.572 ' CE2' ' HG ' ' A' ' 88' ' ' LEU . 47.8 m-85 -106.01 147.52 28.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.428 ' HB2' HD11 ' A' ' 73' ' ' LEU . 77.0 tttt -128.43 101.87 6.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.61 HD11 ' HB3' ' A' ' 68' ' ' TYR . 4.7 tt -91.7 102.6 13.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.99 -106.7 2.08 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -116.46 18.25 15.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.791 0.329 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.8 mp0 -123.84 156.6 35.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -131.73 142.97 49.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.57 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 99.3 m-85 -132.32 177.99 7.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -75.74 -30.94 59.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 1.013 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 2.9 p80 -175.88 -175.03 0.71 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.572 ' HG ' ' CE2' ' A' ' 78' ' ' PHE . 9.3 mt -56.56 -60.23 9.84 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.618 0.723 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.1 Cg_endo -69.78 9.0 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.656 2.238 . . . . 0.0 112.339 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 1.013 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -107.92 -22.07 12.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.57 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.2 pp -92.53 -40.14 10.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 23.8 mt -60.68 -34.57 74.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.481 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 5.4 pt-20 -72.39 -26.44 61.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.869 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -84.23 -22.25 30.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.547 ' CE1' HD23 ' A' ' 100' ' ' LEU . 3.2 m-85 -84.72 -24.78 28.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.481 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 31.0 mtpt -50.2 -19.59 0.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.475 HG13 ' N ' ' A' ' 98' ' ' HIS . 46.8 pt -112.87 -36.15 2.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.123 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.475 ' N ' HG13 ' A' ' 97' ' ' ILE . 56.8 m170 -87.99 134.91 33.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.702 ' CD2' HG23 ' A' ' 104' ' ' THR . 29.5 m-85 -85.25 114.09 22.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.547 HD23 ' CE1' ' A' ' 95' ' ' TYR . 13.6 mt -48.43 -71.04 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -121.33 -64.86 1.19 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.503 HG22 ' CG ' ' A' ' 61' ' ' GLU . 7.3 t -126.8 -5.17 6.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.401 HG23 ' N ' ' A' ' 104' ' ' THR . 1.2 t -151.52 -178.74 6.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.162 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.702 HG23 ' CD2' ' A' ' 99' ' ' TYR . 45.1 p -120.18 178.09 4.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.435 HD21 HD11 ' A' ' 100' ' ' LEU . 82.6 mt -86.99 101.78 13.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 18.8 mm -73.86 -71.59 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.117 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -150.57 152.33 32.39 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.669 0.747 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' A' ' 43' ' ' PHE . 53.4 Cg_endo -69.8 137.73 36.01 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.26 . . . . 0.0 112.338 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.589 ' HB1' ' HD2' ' A' ' 110' ' ' PRO . . . -51.04 160.86 0.77 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.629 0.728 . . . . 0.0 111.087 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.589 ' HD2' ' HB1' ' A' ' 109' ' ' ALA . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.205 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.781 0.324 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -127.41 99.28 5.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.401 ' CG ' ' HD3' ' A' ' 108' ' ' PRO . 29.9 p90 -165.5 172.6 11.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -106.17 92.4 4.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.495 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 82.4 p -54.99 -21.51 12.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 88.7 p -79.08 -41.89 27.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.589 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 14.7 t70 -64.6 95.16 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.835 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.597 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 22.1 mtm180 -58.33 -39.15 78.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 t -66.53 -3.91 7.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.403 ' HB2' ' OD1' ' A' ' 17' ' ' ASP . . . -101.73 -27.9 12.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.597 ' CZ2' ' HG3' ' A' ' 18' ' ' ARG . 31.2 p-90 -127.57 -46.49 1.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.944 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.511 ' N ' ' O ' ' A' ' 18' ' ' ARG . 26.1 t80 -65.92 101.5 0.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.963 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.776 ' HG3' HD13 ' A' ' 44' ' ' LEU . 4.2 mmt -79.39 -5.74 55.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.506 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 29.07 -91.84 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.499 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.507 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.8 Cg_endo -69.79 78.83 0.99 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.638 2.225 . . . . 0.0 112.343 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.758 HG21 ' HB3' ' A' ' 23' ' ' MET . 20.3 t -152.03 140.55 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.167 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 70.7 m -93.7 160.81 14.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -57.35 -53.76 54.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -49.11 -31.68 8.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.578 ' O ' HG22 ' A' ' 33' ' ' THR . 24.3 tt0 -78.88 -69.92 0.54 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.488 ' HB2' ' HD3' ' A' ' 46' ' ' ARG . . . -35.42 -36.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 36' ' ' GLN . 11.3 mt-30 -70.51 -46.66 63.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.961 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.578 HG22 ' O ' ' A' ' 30' ' ' GLU . 1.2 t -61.32 -23.31 65.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.172 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -83.18 -32.66 26.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.453 HD21 ' HB2' ' A' ' 109' ' ' ALA . 13.6 mt -106.25 5.39 29.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 32' ' ' GLN . 2.7 tp60 -82.83 116.53 22.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.22 -3.33 72.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.509 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -72.88 166.96 21.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.855 0.36 . . . . 0.0 110.869 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.41 HH11 ' HE1' ' A' ' 42' ' ' MET . 0.0 OUTLIER -64.62 158.63 23.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 63.1 m170 -75.63 120.19 20.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 135.81 -21.98 3.51 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.474 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.41 ' HE1' HH11 ' A' ' 39' ' ' ARG . 26.9 ttm -66.18 152.19 45.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.83 0.348 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.527 ' HB2' HD21 ' A' ' 57' ' ' LEU . 9.3 p90 -159.2 171.23 20.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.776 HD13 ' HG3' ' A' ' 23' ' ' MET . 4.2 pp -174.05 150.11 1.55 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' A' ' 23' ' ' MET . 21.8 t -120.28 119.86 61.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.488 ' HD3' ' HB2' ' A' ' 31' ' ' ALA . 13.8 ptt85 -125.66 173.17 9.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -71.16 120.77 17.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.1 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.718 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.819 0.342 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -117.97 167.41 11.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 87.4 t -134.99 108.25 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.177 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.713 ' HB2' HD11 ' A' ' 70' ' ' ILE . 3.4 tt -87.71 99.23 11.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.5 m -81.4 118.7 22.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.65 HG23 ' CD2' ' A' ' 57' ' ' LEU . 1.3 t -116.79 156.67 17.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.476 ' N ' ' CG1' ' A' ' 59' ' ' VAL . 12.5 t -106.73 105.84 16.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.852 ' CG ' HG22 ' A' ' 102' ' ' THR . 1.7 tm-20 -154.94 145.49 22.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.499 ' ND2' ' OE2' ' A' ' 61' ' ' GLU . 75.3 m-20 62.52 51.45 3.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.7 p 43.59 30.67 0.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -155.41 166.14 34.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.9 t -92.23 106.7 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.534 ' HB3' ' CZ ' ' A' ' 68' ' ' TYR . 8.6 m -79.21 93.84 5.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -70.76 105.68 3.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.774 ' CE2' HD13 ' A' ' 100' ' ' LEU . 28.2 m-85 -99.24 93.62 6.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 69.8 mt -62.51 142.53 16.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.098 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.713 HD11 ' HB2' ' A' ' 57' ' ' LEU . 4.1 mp -117.55 113.83 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.093 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -75.31 134.43 41.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.7 t -88.5 121.28 30.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 24.4 mt -93.68 147.97 34.55 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.611 0.72 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -19.88 35.54 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.673 2.249 . . . . 0.0 112.369 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -84.68 28.84 0.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 56.01 46.52 21.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 66.0 mtp180 -144.63 155.72 43.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.459 ' CE2' ' CD2' ' A' ' 88' ' ' LEU . 96.0 m-85 -103.08 150.55 23.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -132.8 102.65 5.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.0 tt -87.28 104.42 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.33 -101.52 0.83 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.495 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -118.94 17.38 13.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.745 0.307 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -122.43 163.8 19.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -139.77 152.35 46.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.569 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 97.1 m-85 -141.64 -177.03 4.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -83.91 -28.98 27.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 1.005 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 3.3 p80 -175.62 -175.51 0.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.823 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.488 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 3.4 mm? -56.91 -60.31 9.88 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.606 0.717 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.6 Cg_endo -69.71 9.1 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.654 2.236 . . . . 0.0 112.353 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 1.005 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -106.05 -22.82 12.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.569 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.0 pp -97.83 -40.87 8.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.413 ' N ' HD12 ' A' ' 91' ' ' LEU . 11.0 mt -60.77 -35.85 77.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -72.3 -24.95 61.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.525 ' CE2' ' CE1' ' A' ' 98' ' ' HIS . 44.1 t80 -83.44 -28.63 28.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.503 ' CE1' HD23 ' A' ' 100' ' ' LEU . 11.1 m-85 -79.94 -18.82 49.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.93 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -53.06 -17.27 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.452 HG13 ' N ' ' A' ' 98' ' ' HIS . 45.9 pt -114.24 -33.83 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.525 ' CE1' ' CE2' ' A' ' 94' ' ' PHE . 57.7 m170 -85.01 155.89 21.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.526 ' CD2' HG23 ' A' ' 104' ' ' THR . 3.2 m-85 -108.51 120.32 42.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.774 HD13 ' CE2' ' A' ' 68' ' ' TYR . 6.7 mt -62.57 -72.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.941 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.03 -69.24 0.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.852 HG22 ' CG ' ' A' ' 61' ' ' GLU . 1.3 t -130.77 3.17 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.156 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 14.2 t -156.08 174.02 15.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.526 HG23 ' CD2' ' A' ' 99' ' ' TYR . 12.1 p -113.3 176.64 4.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 78.5 mt -83.93 112.36 20.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 23.1 mm -91.68 -70.65 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -144.46 148.64 41.24 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.568 0.699 . . . . 0.0 110.913 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.401 ' HD3' ' CG ' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.81 134.78 28.71 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.672 2.248 . . . . 0.0 112.328 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.453 ' HB2' HD21 ' A' ' 35' ' ' LEU . . . -41.73 153.94 0.26 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.659 0.743 . . . . 0.0 111.062 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.22 0 C-N-CA 122.658 2.238 . . . . 0.0 112.319 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.816 0.341 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -119.97 91.99 3.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -141.86 168.22 20.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -98.86 90.14 4.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.495 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 62.6 p -52.4 -27.86 17.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.87 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 82.8 p -75.85 -41.04 53.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.791 ' OD2' ' HB2' ' A' ' 20' ' ' ALA . 17.0 t70 -64.52 92.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.591 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 19.6 mtm180 -62.74 -34.86 78.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.4 t -70.23 1.16 5.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.791 ' HB2' ' OD2' ' A' ' 17' ' ' ASP . . . -109.01 -26.8 10.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.595 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 58.3 p-90 -128.65 -43.83 1.38 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.518 ' HH ' ' HE1' ' A' ' 55' ' ' TYR . 27.8 t80 -66.64 113.62 4.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.747 ' HB3' HG21 ' A' ' 26' ' ' VAL . 6.5 mmt -94.54 -4.9 47.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.517 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 28.05 -91.2 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.436 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.521 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.9 Cg_endo -69.74 79.04 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.664 2.242 . . . . 0.0 112.365 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.747 HG21 ' HB3' ' A' ' 23' ' ' MET . 12.7 t -151.56 129.66 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.8 m -77.89 157.67 29.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 28' ' ' ARG . 15.3 ttp-105 -57.57 -52.84 63.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -51.4 -34.36 34.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.883 ' O ' HG22 ' A' ' 33' ' ' THR . 10.1 tt0 -71.4 -65.01 0.81 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.625 ' HB1' HD21 ' A' ' 44' ' ' LEU . . . -40.35 -33.42 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.516 ' HA ' HG21 ' A' ' 65' ' ' VAL . 10.7 mt-30 -66.9 -47.91 70.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.883 HG22 ' O ' ' A' ' 30' ' ' GLU . 11.0 t -62.2 -24.85 67.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -80.98 -31.49 34.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.457 ' CD2' ' HG2' ' A' ' 42' ' ' MET . 25.0 mt -111.03 11.36 22.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 32' ' ' GLN . 0.7 OUTLIER -87.56 113.08 22.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.87 -26.69 4.12 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.486 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -48.37 163.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.338 . . . . 0.0 110.919 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.55 151.24 8.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.457 ' CG ' ' OE1' ' A' ' 61' ' ' GLU . 40.3 m170 -68.8 126.4 29.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 127.24 -38.1 2.22 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.47 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.457 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 30.8 ttm -41.63 154.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.835 0.35 . . . . 0.0 110.847 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -160.65 169.25 23.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.753 ' C ' HD12 ' A' ' 44' ' ' LEU . 1.0 OUTLIER -170.3 146.35 2.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.44 HG22 HD23 ' A' ' 57' ' ' LEU . 20.9 t -120.3 110.26 28.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.408 ' NH1' ' O ' ' A' ' 26' ' ' VAL . 13.6 ptt85 -112.55 -178.4 3.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -86.71 116.52 24.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.427 ' HB2' HG23 ' A' ' 56' ' ' VAL . 8.2 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.421 ' O ' ' CB ' ' A' ' 48' ' ' SER . 20.4 m-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.844 0.354 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.518 ' HE1' ' HH ' ' A' ' 22' ' ' TYR . 23.3 m-85 -112.45 166.81 10.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.427 HG23 ' HB2' ' A' ' 48' ' ' SER . 96.5 t -140.38 106.98 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.825 HD13 ' O ' ' A' ' 57' ' ' LEU . 1.5 tm? -87.2 105.29 17.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 65.4 m -97.35 149.8 21.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.647 HG22 ' HB2' ' A' ' 66' ' ' SER . 1.4 m -144.16 158.34 15.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.4 t -99.17 104.81 16.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.822 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.457 ' OE1' ' CG ' ' A' ' 40' ' ' HIS . 12.1 tp10 -157.78 161.03 38.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 39.0 m-20 56.33 29.79 15.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.932 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.6 m 62.5 25.01 14.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -152.48 -175.37 5.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.516 HG21 ' HA ' ' A' ' 32' ' ' GLN . 39.6 t -110.76 112.06 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.647 ' HB2' HG22 ' A' ' 59' ' ' VAL . 24.8 m -83.82 101.27 11.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -82.38 100.14 9.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -97.26 103.6 15.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.962 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 99.0 mt -69.61 141.09 17.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.126 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.426 ' CG2' ' HB3' ' A' ' 78' ' ' PHE . 4.5 mp -112.82 113.34 43.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.175 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -76.7 130.78 38.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.9 t -81.75 119.81 24.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.661 HD21 ' HB2' ' A' ' 79' ' ' LYS . 22.8 mt -89.38 149.95 43.7 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.619 0.723 . . . . 0.0 110.893 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -23.8 30.51 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.725 2.283 . . . . 0.0 112.32 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -83.03 43.32 0.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 76' ' ' ARG . 5.2 mmm180 43.96 43.5 5.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 43.5 mtt85 -141.24 163.57 32.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.426 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 25.9 m-85 -112.22 153.54 26.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.661 ' HB2' HD21 ' A' ' 73' ' ' LEU . 47.3 tttt -132.71 103.37 6.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.4 tt -94.67 103.14 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.101 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 76.39 -109.13 2.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.48 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -117.86 24.89 10.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.749 0.309 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 51.2 mm-40 -131.46 170.43 14.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -142.03 147.28 36.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.576 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 96.7 m-85 -138.03 170.32 16.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.861 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.31 -33.12 75.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 1.02 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 3.2 p80 -173.31 -175.0 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.834 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.499 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 9.0 mt -57.54 -60.05 11.04 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.645 0.736 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.7 Cg_endo -69.71 11.13 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.709 2.273 . . . . 0.0 112.362 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 1.02 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -110.2 -21.64 12.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.576 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.4 pp -91.31 -40.79 11.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.447 ' N ' HD12 ' A' ' 91' ' ' LEU . 16.3 mt -59.56 -33.29 71.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -74.4 -24.94 59.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.483 ' CE2' ' CE1' ' A' ' 98' ' ' HIS . 9.6 t80 -83.01 -26.83 30.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -78.47 -22.45 47.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -51.09 -18.22 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 45.4 pt -117.66 -33.75 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.483 ' CE1' ' CE2' ' A' ' 94' ' ' PHE . 60.7 m170 -88.35 137.54 32.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.614 ' CD2' HG23 ' A' ' 104' ' ' THR . 2.2 m-85 -91.51 115.98 28.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.963 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.565 ' H ' HD12 ' A' ' 100' ' ' LEU . 3.4 mp -53.74 -69.6 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -114.27 -69.08 0.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.5 t -130.12 -1.34 4.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.142 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.4 t -150.19 177.29 10.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.614 HG23 ' CD2' ' A' ' 99' ' ' TYR . 77.2 p -118.91 -179.2 3.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.5 mt -88.01 119.41 28.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 21.0 mm -94.06 -67.74 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -149.14 145.09 18.79 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.613 0.72 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 138.58 38.16 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.68 2.253 . . . . 0.0 112.387 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.482 ' HB1' ' HD2' ' A' ' 110' ' ' PRO . . . -57.21 157.4 12.2 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.57 0.7 . . . . 0.0 111.109 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.482 ' HD2' ' HB1' ' A' ' 109' ' ' ALA . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.21 0 C-N-CA 122.669 2.246 . . . . 0.0 112.395 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.761 0.315 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -128.8 90.27 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.578 ' CZ ' ' HE3' ' A' ' 96' ' ' LYS . 54.0 p90 -155.4 148.67 24.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -80.13 97.72 6.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.496 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 9.4 t -61.62 -18.1 58.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.4 t -78.08 -35.52 49.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.595 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 35.5 t0 -68.72 95.67 0.68 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.585 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 13.4 mtm180 -63.59 -37.68 88.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.3 t -67.68 -2.54 7.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -103.99 -28.43 11.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.061 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.595 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 55.7 p-90 -128.15 -44.46 1.43 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.51 ' N ' ' O ' ' A' ' 18' ' ' ARG . 8.3 t80 -62.53 102.65 0.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.95 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.726 ' HB3' HG21 ' A' ' 26' ' ' VAL . 4.6 mmt -81.68 -9.32 59.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.504 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 28.68 -91.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.482 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.513 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.3 Cg_endo -69.83 78.73 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.636 2.224 . . . . 0.0 112.328 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.726 HG21 ' HB3' ' A' ' 23' ' ' MET . 5.3 t -149.83 146.03 17.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.4 m -98.01 145.86 26.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.1 ttt-85 -47.47 -52.17 18.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -48.26 -32.66 7.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 32' ' ' GLN . 11.9 tt0 -76.03 -68.76 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.433 ' CB ' ' HD3' ' A' ' 46' ' ' ARG . . . -36.9 -28.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.077 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' A' ' 30' ' ' GLU . 8.3 mt-30 -71.5 -53.02 15.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.2 t -62.21 -21.05 64.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.173 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -79.59 -33.77 41.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.6 mt -109.75 3.95 21.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' GLN . 4.1 tp60 -80.49 106.73 12.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.86 8.86 75.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -85.97 163.0 18.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.818 0.342 . . . . 0.0 110.897 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.37 149.51 24.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 39.0 m170 -68.08 117.55 10.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 138.59 -27.27 2.73 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.42 ' HG2' ' HB2' ' A' ' 109' ' ' ALA . 24.9 ttm -58.22 153.87 14.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.476 ' HB2' HD21 ' A' ' 57' ' ' LEU . 6.3 p90 -160.93 171.18 19.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.483 ' O ' HD12 ' A' ' 44' ' ' LEU . 4.6 pp -174.64 146.24 0.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.2 t -115.96 113.22 42.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.527 HH12 HG11 ' A' ' 56' ' ' VAL . 0.2 OUTLIER -114.43 174.6 5.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.919 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.31 119.51 20.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 22.9 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.469 ' O ' ' CB ' ' A' ' 48' ' ' SER . 1.8 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.8 0.333 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -122.92 167.85 13.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.527 HG11 HH12 ' A' ' 46' ' ' ARG . 61.5 t -137.4 113.08 11.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.159 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.745 ' HB2' HD11 ' A' ' 70' ' ' ILE . 3.0 tt -92.84 94.27 8.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.972 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.4 m -77.38 116.81 18.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.647 HG23 ' CD2' ' A' ' 57' ' ' LEU . 1.0 OUTLIER -116.33 151.51 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.11 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.8 t -97.31 118.39 33.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.665 ' CG ' HG22 ' A' ' 102' ' ' THR . 7.2 tp10 -166.32 143.02 5.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 59.21 50.82 7.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.3 t 42.52 32.19 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.1 ptt-85 -146.99 176.4 9.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.408 HG21 ' HA ' ' A' ' 32' ' ' GLN . 6.5 t -103.83 98.2 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 68' ' ' TYR . 20.1 m -73.72 90.89 1.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 -75.42 108.01 7.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.594 ' HB3' HD11 ' A' ' 80' ' ' ILE . 32.6 m-85 -100.0 95.28 6.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.984 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 69.1 mt -61.27 144.9 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.745 HD11 ' HB2' ' A' ' 57' ' ' LEU . 5.2 mp -114.58 119.55 61.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.15 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -82.08 122.13 27.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.4 t -81.57 107.55 14.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.829 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 55.8 mt -79.83 143.94 59.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.58 0.705 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -13.41 34.7 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 41.8 p-10 -85.31 27.98 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 60.41 37.15 20.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -143.01 167.25 22.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.418 ' CD1' ' N ' ' A' ' 78' ' ' PHE . 4.0 m-85 -113.25 166.71 11.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -148.98 105.49 3.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.594 HD11 ' HB3' ' A' ' 68' ' ' TYR . 4.7 tt -91.07 105.34 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.18 -105.72 2.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.523 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -119.18 15.39 13.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.761 0.315 . . . . 0.0 110.852 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -121.07 157.7 29.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -127.05 149.25 50.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.602 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 95.8 m-85 -138.83 171.92 13.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -71.72 -30.37 65.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 1.01 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 3.0 p80 -175.5 -175.01 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.498 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 8.8 mt -57.09 -59.83 11.48 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.644 0.735 . . . . 0.0 110.964 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.8 Cg_endo -69.76 10.48 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.651 2.234 . . . . 0.0 112.341 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 1.01 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -110.15 -19.16 13.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.081 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.602 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.2 pp -93.96 -40.73 9.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 28.5 mt -62.35 -44.41 96.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 94' ' ' PHE . 6.9 pt-20 -62.17 -27.95 69.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.411 ' N ' ' HG3' ' A' ' 93' ' ' GLU . 27.4 t80 -80.29 -34.95 36.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.673 ' CE1' HD23 ' A' ' 100' ' ' LEU . 26.5 m-85 -77.03 -9.0 58.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.578 ' HE3' ' CZ ' ' A' ' 13' ' ' PHE . 56.7 mttt -58.71 -21.29 54.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.889 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.493 HG13 ' CD2' ' A' ' 98' ' ' HIS . 38.7 pt -113.12 -35.79 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.493 ' CD2' HG13 ' A' ' 97' ' ' ILE . 45.9 m170 -90.08 132.0 35.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.724 ' CD2' HG23 ' A' ' 104' ' ' THR . 6.4 m-85 -82.0 114.9 20.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.952 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.673 HD23 ' CE1' ' A' ' 95' ' ' TYR . 6.6 mt -46.63 -70.2 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -111.12 -64.59 1.26 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.665 HG22 ' CG ' ' A' ' 61' ' ' GLU . 2.8 t -133.82 -0.29 3.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.6 t -151.24 171.28 17.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.724 HG23 ' CD2' ' A' ' 99' ' ' TYR . 2.0 p -107.21 -179.8 4.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.407 HD21 HD11 ' A' ' 100' ' ' LEU . 97.7 mt -92.61 106.61 18.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 22.7 mm -78.87 -67.19 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -155.54 151.91 23.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.659 0.742 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.404 ' HA ' ' O ' ' A' ' 43' ' ' PHE . 54.1 Cg_endo -69.71 143.89 52.53 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.42 ' HB2' ' HG2' ' A' ' 42' ' ' MET . . . -65.14 150.05 96.02 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.582 0.706 . . . . 0.0 111.098 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.341 0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.383 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.765 0.317 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.7 mmm-85 -131.78 94.27 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -156.97 -176.49 6.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -113.55 89.21 3.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.492 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 58.6 m -56.49 -24.87 49.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.816 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 m -74.81 -38.76 62.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.596 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 16.5 t70 -72.8 110.45 7.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.584 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 5.7 mtm-85 -70.14 -36.01 74.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.3 t -66.31 -3.57 6.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -101.67 -28.64 12.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.121 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.596 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 49.4 p-90 -128.96 -44.97 1.28 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.943 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.518 ' N ' ' CE3' ' A' ' 21' ' ' TRP . 7.8 t80 -54.17 122.05 9.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.698 ' HG3' HD13 ' A' ' 44' ' ' LEU . 7.9 mmt -103.23 -4.08 24.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.51 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 29.01 -91.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.512 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.8 Cg_endo -69.81 78.99 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.697 HG21 ' HB3' ' A' ' 23' ' ' MET . 39.3 t -156.93 135.98 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.0 m -97.52 174.8 6.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -62.94 -47.17 84.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -55.58 -35.89 66.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.946 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.832 ' O ' HG22 ' A' ' 33' ' ' THR . 15.0 tt0 -75.31 -65.16 0.92 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.83 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.772 ' HB2' ' HD3' ' A' ' 46' ' ' ARG . . . -39.99 -29.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.075 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.5 ' O ' ' N ' ' A' ' 36' ' ' GLN . 8.4 mt-30 -71.16 -49.69 41.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.832 HG22 ' O ' ' A' ' 30' ' ' GLU . 12.0 t -59.13 -24.89 63.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.417 ' HB3' ' NH1' ' A' ' 34' ' ' ARG . 1.5 mtp-105 -81.13 -33.54 33.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.469 ' HB2' HG22 ' A' ' 65' ' ' VAL . 24.2 mt -108.32 9.39 27.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 32' ' ' GLN . 2.5 tp60 -88.62 106.27 18.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.16 -9.96 76.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.494 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -68.83 162.71 25.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 -61.06 145.29 51.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 38.1 m170 -58.09 139.22 55.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 42' ' ' MET . . . 116.16 -47.62 1.02 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.462 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 41' ' ' GLY . 31.3 ttm -37.05 152.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.337 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.617 ' HB2' HG12 ' A' ' 59' ' ' VAL . 9.9 p90 -157.24 168.57 27.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.698 HD13 ' HG3' ' A' ' 23' ' ' MET . 3.2 pp -169.93 142.83 2.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.6 t -117.45 108.71 25.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.772 ' HD3' ' HB2' ' A' ' 31' ' ' ALA . 13.0 ptt85 -110.94 163.87 13.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -67.22 118.16 10.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.6 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.772 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.853 0.358 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -119.1 171.49 8.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 86.8 t -145.5 111.16 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.766 ' C ' HD13 ' A' ' 57' ' ' LEU . 1.4 tm? -92.41 112.75 24.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.955 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.428 ' HB3' ' CG1' ' A' ' 65' ' ' VAL . 17.6 m -107.23 141.08 39.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.617 HG12 ' HB2' ' A' ' 43' ' ' PHE . 12.3 m -137.1 163.88 31.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.125 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.3 t -92.97 98.2 11.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.944 ' CD ' HG22 ' A' ' 102' ' ' THR . 16.4 tt0 -148.6 152.87 37.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 57.1 53.28 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.4 t 41.75 30.51 0.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.1 ptt180 -159.49 -175.66 5.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.469 HG22 ' HB2' ' A' ' 35' ' ' LEU . 49.2 t -105.68 105.44 18.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.44 ' HB3' ' CZ ' ' A' ' 68' ' ' TYR . 15.5 m -73.44 99.98 3.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -80.41 104.51 11.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.852 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.44 ' CZ ' ' HB3' ' A' ' 66' ' ' SER . 27.3 m-85 -102.64 109.05 20.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 87.4 mt -74.33 145.05 11.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.115 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.5 mp -116.1 113.16 42.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -75.24 132.73 41.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.3 t -90.96 120.27 31.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.5 mt -91.13 151.66 43.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.589 0.709 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -21.23 33.68 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.656 2.237 . . . . 0.0 112.319 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -84.94 44.32 1.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 62.3 mtt-85 41.93 45.53 3.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 22.3 mtt85 -145.07 151.27 38.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -102.06 165.98 10.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -145.62 109.26 4.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.528 HG23 ' O ' ' A' ' 80' ' ' ILE . 7.9 tt -97.99 99.11 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.47 -103.83 2.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.448 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -119.9 21.52 11.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.801 0.334 . . . . 0.0 110.856 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -131.99 167.12 20.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -138.42 158.56 44.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.604 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 93.9 m-85 -146.3 170.09 17.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.61 -35.91 81.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 1.048 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 3.8 p80 -167.88 -175.77 2.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.508 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 9.3 mt -58.52 -59.67 12.8 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.601 0.715 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.9 Cg_endo -69.76 12.57 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.651 2.234 . . . . 0.0 112.352 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 1.048 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -110.45 -24.13 10.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.604 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.5 pp -88.71 -41.57 12.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.433 ' N ' HD12 ' A' ' 91' ' ' LEU . 7.1 mt -56.29 -40.61 74.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.954 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.485 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 6.0 mt-10 -66.15 -27.38 67.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -80.96 -19.29 44.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.555 ' CE1' HD23 ' A' ' 100' ' ' LEU . 6.4 m-85 -92.0 -23.53 19.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.907 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.485 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 16.9 mtpt -48.51 -20.41 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.897 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 48.7 pt -114.28 -30.91 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.14 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.436 ' O ' HG22 ' A' ' 104' ' ' THR . 58.7 m170 -88.47 149.95 23.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.596 ' CD2' HG23 ' A' ' 104' ' ' THR . 19.0 m-85 -99.8 113.75 26.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.555 HD23 ' CE1' ' A' ' 95' ' ' TYR . 7.7 mt -54.18 -65.78 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.951 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.42 ' CB ' ' OE2' ' A' ' 61' ' ' GLU . 6.2 m-20 -118.89 -63.91 1.34 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.944 HG22 ' CD ' ' A' ' 61' ' ' GLU . 7.6 t -134.51 -0.61 2.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 10.5 t -150.56 179.12 8.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.15 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.596 HG23 ' CD2' ' A' ' 99' ' ' TYR . 60.7 p -116.15 -175.4 2.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.415 HD12 ' HB2' ' A' ' 95' ' ' TYR . 91.5 mt -95.87 104.37 16.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 14.4 mm -81.41 -72.31 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -149.99 146.91 21.05 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.638 0.732 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 152.34 69.35 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.694 2.262 . . . . 0.0 112.354 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.55 149.32 95.54 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.575 0.702 . . . . 0.0 111.042 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.339 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.78 0.324 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -128.46 93.42 3.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -157.32 146.06 19.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.822 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -77.35 105.79 8.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.473 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 36.6 p -64.86 -24.78 67.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 m -77.69 -31.59 52.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.878 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.472 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 11.6 t0 -69.1 96.56 0.81 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.584 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 6.0 mtm-85 -64.14 -38.27 90.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.3 t -65.69 -4.32 6.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.08 -32.69 10.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.097 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.584 ' CZ2' ' HG3' ' A' ' 18' ' ' ARG . 54.3 p-90 -123.54 -45.17 2.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.541 ' N ' ' CE3' ' A' ' 21' ' ' TRP . 5.5 t80 -55.24 132.02 46.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.713 ' HB3' HG21 ' A' ' 26' ' ' VAL . 13.4 mmt -119.69 -9.95 9.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.49 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 30.83 -91.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.45 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.518 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.7 Cg_endo -69.73 79.4 0.94 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.645 2.23 . . . . 0.0 112.327 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.713 HG21 ' HB3' ' A' ' 23' ' ' MET . 46.3 t -155.4 131.19 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 61.5 p -85.08 160.41 19.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.416 ' HB2' ' NH2' ' A' ' 46' ' ' ARG . 45.5 ttm-85 -57.82 -54.23 49.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -46.08 -40.73 11.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.726 ' O ' HG22 ' A' ' 33' ' ' THR . 12.6 tt0 -67.04 -66.31 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.482 ' HB1' HD11 ' A' ' 44' ' ' LEU . . . -42.31 -33.33 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 36' ' ' GLN . 23.9 mt-30 -71.41 -44.33 65.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.726 HG22 ' O ' ' A' ' 30' ' ' GLU . 1.4 t -62.47 -22.38 66.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.688 HH21 HD22 ' A' ' 44' ' ' LEU . 6.3 mtm180 -85.16 -33.05 22.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.8 mt -105.63 5.39 31.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 32' ' ' GLN . 0.6 OUTLIER -82.86 107.78 15.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.887 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.52 14.56 79.83 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.526 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.403 ' CG ' ' O ' ' A' ' 34' ' ' ARG . 12.7 mm100 -90.73 173.51 7.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.347 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -65.25 128.95 37.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 58.1 m170 -51.74 127.2 20.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 129.84 -35.24 2.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.458 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.637 ' HG2' ' HB2' ' A' ' 109' ' ' ALA . 21.4 ttm -51.71 148.55 5.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.748 0.309 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.697 ' HB2' HD21 ' A' ' 57' ' ' LEU . 6.5 p90 -154.29 165.62 35.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.834 ' O ' HD12 ' A' ' 44' ' ' LEU . 3.4 pp -170.94 132.13 0.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.2 t -100.77 126.76 54.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.479 HH12 HG11 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -131.56 157.09 44.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -62.52 125.12 22.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.776 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.782 0.325 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -134.98 171.17 14.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.479 HG11 HH12 ' A' ' 46' ' ' ARG . 94.6 t -139.91 117.83 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.174 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.758 ' CD2' HG23 ' A' ' 59' ' ' VAL . 5.3 tt -96.95 95.74 8.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.7 m -78.1 111.62 14.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.758 HG23 ' CD2' ' A' ' 57' ' ' LEU . 1.0 OUTLIER -112.76 151.27 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.103 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 t -97.36 97.42 9.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.84 ' CD ' HG22 ' A' ' 102' ' ' THR . 8.9 tt0 -144.15 145.85 32.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.836 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 60.53 53.88 3.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 m 40.77 33.14 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -154.68 176.84 11.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.1 t -98.78 98.26 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.484 ' HB3' ' CZ ' ' A' ' 68' ' ' TYR . 14.1 m -74.75 91.21 2.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -73.15 107.49 5.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.709 ' CE2' HD13 ' A' ' 100' ' ' LEU . 36.7 m-85 -98.8 94.97 6.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 77.9 mt -62.39 142.28 16.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.148 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.633 HD11 ' HB2' ' A' ' 57' ' ' LEU . 5.3 mp -116.16 109.11 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -69.27 142.92 54.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.9 t -96.17 105.45 17.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.432 HD12 ' HB3' ' A' ' 77' ' ' ARG . 52.5 mt -71.68 146.54 91.16 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.668 0.746 . . . . 0.0 110.887 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -22.9 31.53 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.69 2.26 . . . . 0.0 112.337 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.516 ' H ' ' ND2' ' A' ' 75' ' ' ASN . 1.6 p30 -86.39 46.49 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 44.77 48.2 8.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.468 ' CD ' ' O ' ' A' ' 75' ' ' ASN . 6.6 mpt_? -145.99 169.95 17.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -119.57 159.37 24.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -142.24 112.21 6.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.596 HG21 ' HE2' ' A' ' 95' ' ' TYR . 4.0 tt -96.71 100.17 10.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.7 -104.62 2.1 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.04 20.32 12.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.781 0.324 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -129.11 157.95 40.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -131.25 153.45 49.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.59 ' CD2' ' HB2' ' A' ' 91' ' ' LEU . 98.1 m-85 -141.38 174.99 10.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.06 -30.76 68.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 1.014 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 2.8 p80 -175.72 -174.99 0.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.5 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 8.8 mt -56.62 -60.0 10.6 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.623 0.725 . . . . 0.0 110.925 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.5 Cg_endo -69.76 9.31 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.68 2.253 . . . . 0.0 112.322 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 1.014 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -109.21 -19.81 13.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.073 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.59 ' HB2' ' CD2' ' A' ' 85' ' ' PHE . 3.0 pp -92.13 -40.5 11.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.2 mt -61.37 -39.23 89.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.425 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 7.1 pt-20 -66.67 -24.96 66.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -88.44 -14.33 38.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.596 ' HE2' HG21 ' A' ' 80' ' ' ILE . 3.0 m-85 -94.78 -20.55 19.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.425 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 30.3 mtpt -55.19 -21.18 12.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.453 HG13 ' N ' ' A' ' 98' ' ' HIS . 39.0 pt -110.4 -33.36 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.453 ' N ' HG13 ' A' ' 97' ' ' ILE . 62.4 m170 -88.22 143.49 27.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.78 ' CD2' HG23 ' A' ' 104' ' ' THR . 7.2 m-85 -93.3 114.65 27.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.709 HD13 ' CE2' ' A' ' 68' ' ' TYR . 7.5 mt -49.84 -72.46 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -117.52 -65.28 1.2 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.84 HG22 ' CD ' ' A' ' 61' ' ' GLU . 7.0 t -127.37 -3.63 6.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.128 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.3 t -148.68 -175.61 5.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.78 HG23 ' CD2' ' A' ' 99' ' ' TYR . 80.9 p -124.41 179.08 5.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 96.7 mt -87.06 105.78 17.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 19.1 mm -80.49 -72.35 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.113 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -149.63 148.59 26.21 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.607 0.718 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 134.92 28.98 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.651 2.234 . . . . 0.0 112.328 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.637 ' HB2' ' HG2' ' A' ' 42' ' ' MET . . . -57.04 154.78 18.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.594 0.711 . . . . 0.0 111.102 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.403 ' HD2' ' HB1' ' A' ' 109' ' ' ALA . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.805 0.336 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -95.19 100.13 11.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -160.55 176.11 11.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.08 133.67 43.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.418 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 88.5 p -95.99 -36.75 10.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.2 t -76.31 -37.29 57.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.599 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 27.1 t0 -64.49 91.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.597 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 5.2 mtm105 -63.08 -37.33 86.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.3 t -66.8 -3.14 6.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -102.67 -28.63 12.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.075 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 41.4 p-90 -127.46 -45.52 1.5 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.51 ' N ' ' O ' ' A' ' 18' ' ' ARG . 23.3 t80 -61.55 110.91 1.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.721 ' HB3' HG21 ' A' ' 26' ' ' VAL . 5.4 mmt -90.59 -3.4 57.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.938 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.503 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 28.65 -91.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.516 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.7 Cg_endo -69.79 78.88 0.99 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.33 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.721 HG21 ' HB3' ' A' ' 23' ' ' MET . 32.4 t -155.79 135.46 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.2 p -96.48 160.91 14.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -52.79 -54.16 38.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -44.47 -44.27 8.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.844 ' O ' HG22 ' A' ' 33' ' ' THR . 18.2 tt0 -70.93 -63.72 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.448 ' HB2' ' HD3' ' A' ' 46' ' ' ARG . . . -36.86 -39.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.552 ' HA ' HG21 ' A' ' 65' ' ' VAL . 13.1 mt-30 -61.22 -52.13 66.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.844 HG22 ' O ' ' A' ' 30' ' ' GLU . 6.2 t -60.08 -23.25 63.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.101 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -80.28 -30.38 38.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.551 ' CD2' ' HB2' ' A' ' 109' ' ' ALA . 13.7 mt -116.19 14.21 15.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 32' ' ' GLN . 4.3 tp60 -87.98 108.45 19.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.71 -28.09 9.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.461 ' HB3' ' HE3' ' A' ' 42' ' ' MET . 14.1 mm-40 -50.34 162.44 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.784 0.326 . . . . 0.0 110.927 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.63 158.07 4.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 44.4 m170 -71.99 126.84 30.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 128.57 -40.07 1.78 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.461 ' HE3' ' HB3' ' A' ' 38' ' ' GLN . 28.3 ttm -42.43 149.91 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.329 . . . . 0.0 110.868 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 108' ' ' PRO . 17.3 p90 -156.17 174.21 15.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.598 HD13 ' HG3' ' A' ' 23' ' ' MET . 3.6 pp -174.72 146.37 0.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.742 HG11 HD11 ' A' ' 88' ' ' LEU . 17.0 t -119.01 107.0 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.53 ' HD2' HG12 ' A' ' 26' ' ' VAL . 18.6 ptt-85 -108.57 172.4 6.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -78.03 120.87 23.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.434 ' HB2' HG23 ' A' ' 56' ' ' VAL . 46.5 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.815 0.34 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -122.89 172.62 8.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.434 HG23 ' HB2' ' A' ' 48' ' ' SER . 65.4 t -140.92 105.87 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.155 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.793 ' C ' HD13 ' A' ' 57' ' ' LEU . 1.5 tm? -90.71 113.34 25.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.6 m -103.26 154.46 19.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.513 HG22 ' HB2' ' A' ' 66' ' ' SER . 1.4 m -150.59 154.32 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.7 t -90.81 90.98 8.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.841 ' CD ' HG22 ' A' ' 102' ' ' THR . 22.4 tt0 -138.86 151.36 46.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.849 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.455 ' N ' ' HG2' ' A' ' 61' ' ' GLU . 27.3 m-80 58.96 39.81 23.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.862 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.5 t 54.34 28.41 9.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -153.21 179.65 8.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.552 HG21 ' HA ' ' A' ' 32' ' ' GLN . 47.6 t -105.83 98.81 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.513 ' HB2' HG22 ' A' ' 59' ' ' VAL . 3.8 m -70.51 104.8 2.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -84.13 101.27 11.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -97.76 107.79 20.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 88.2 mt -75.15 135.85 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.112 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.43 ' CG2' ' HB3' ' A' ' 78' ' ' PHE . 3.9 mp -102.9 103.44 15.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.164 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -66.35 131.72 46.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.3 t -84.7 116.56 23.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.583 HD21 ' HB2' ' A' ' 79' ' ' LYS . 28.8 mt -84.39 151.59 59.55 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.621 0.724 . . . . 0.0 110.945 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -20.62 34.7 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.257 . . . . 0.0 112.333 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -89.92 42.06 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 44.21 51.44 7.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.411 ' HB3' HD12 ' A' ' 73' ' ' LEU . 73.3 mtt180 -143.71 161.77 37.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.566 ' CE2' ' CD2' ' A' ' 88' ' ' LEU . 33.2 m-85 -106.43 157.78 17.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.837 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.583 ' HB2' HD21 ' A' ' 73' ' ' LEU . 11.3 tttp -142.28 105.95 4.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.529 HG23 ' O ' ' A' ' 80' ' ' ILE . 7.2 tt -96.9 101.59 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.69 -107.98 2.53 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.492 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -117.01 28.42 8.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.74 0.305 . . . . 0.0 110.842 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -136.88 162.59 32.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -135.26 145.73 47.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.603 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 98.9 m-85 -132.84 -176.4 4.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -87.79 -29.16 21.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 1.01 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 3.0 p80 -175.72 -174.94 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.742 HD11 HG11 ' A' ' 45' ' ' VAL . 3.5 mm? -56.71 -60.29 9.79 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.611 0.719 . . . . 0.0 110.873 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.7 Cg_endo -69.8 9.87 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.685 2.256 . . . . 0.0 112.34 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 1.01 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -108.78 -21.32 12.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.603 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.6 pp -98.55 -42.49 7.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.569 ' N ' HD12 ' A' ' 91' ' ' LEU . 28.4 mt -58.05 -36.19 72.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -72.64 -31.99 65.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -74.9 -22.17 58.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -82.3 -28.46 31.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -47.75 -19.85 0.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 46.0 pt -113.18 -31.07 2.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.114 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.416 ' O ' HG22 ' A' ' 104' ' ' THR . 64.9 m170 -96.58 137.98 34.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.78 ' CD2' HG23 ' A' ' 104' ' ' THR . 7.5 m-85 -90.59 116.6 28.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.7 mp -49.42 -68.3 0.19 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -120.91 -65.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.841 HG22 ' CD ' ' A' ' 61' ' ' GLU . 12.9 t -129.49 -6.3 4.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 9.0 t -146.42 174.32 11.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.78 HG23 ' CD2' ' A' ' 99' ' ' TYR . 32.5 p -114.93 176.53 5.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 87.3 mt -83.57 117.15 22.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 44.4 mm -93.48 -69.03 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.92 150.7 26.59 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.658 0.742 . . . . 0.0 110.865 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' A' ' 43' ' ' PHE . 53.7 Cg_endo -69.74 133.94 26.82 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.729 2.286 . . . . 0.0 112.336 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.551 ' HB2' ' CD2' ' A' ' 35' ' ' LEU . . . -43.77 151.18 0.51 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.575 0.702 . . . . 0.0 111.114 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.165 0 C-N-CA 122.686 2.257 . . . . 0.0 112.364 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.786 0.327 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -108.96 84.16 1.88 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -141.46 174.99 10.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -101.72 116.68 33.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.489 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 8.1 p -79.15 -31.27 43.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.3 m -72.01 -39.4 69.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.582 ' OD2' ' HB2' ' A' ' 20' ' ' ALA . 25.9 t70 -65.58 99.86 0.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.591 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 12.8 mtt85 -68.23 -35.9 78.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.3 t -66.03 -4.44 7.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.582 ' HB2' ' OD2' ' A' ' 17' ' ' ASP . . . -99.69 -33.8 10.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.077 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.591 ' CZ2' ' HG3' ' A' ' 18' ' ' ARG . 55.1 p-90 -121.77 -45.18 2.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.509 ' N ' ' O ' ' A' ' 18' ' ' ARG . 8.0 t80 -61.31 110.46 1.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.671 ' HB3' HG21 ' A' ' 26' ' ' VAL . 6.4 mmt -90.73 -3.2 57.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.509 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 29.2 -91.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.484 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.508 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.5 Cg_endo -69.79 78.84 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.646 2.231 . . . . 0.0 112.356 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.671 HG21 ' HB3' ' A' ' 23' ' ' MET . 41.0 t -157.61 128.23 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.1 p -87.72 178.41 6.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.447 ' NE ' ' OE1' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -69.82 -44.29 70.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 -179.881 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -57.1 -32.22 66.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.904 ' O ' HG22 ' A' ' 33' ' ' THR . 17.3 tt0 -80.52 -67.8 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.453 ' HB2' ' HD3' ' A' ' 46' ' ' ARG . . . -34.31 -40.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.516 ' HA ' HG11 ' A' ' 65' ' ' VAL . 11.6 mt-30 -60.19 -53.33 58.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.904 HG22 ' O ' ' A' ' 30' ' ' GLU . 10.4 t -56.84 -24.84 54.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -79.05 -31.8 44.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.492 HD21 HD23 ' A' ' 44' ' ' LEU . 6.3 mt -114.01 14.27 18.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 32' ' ' GLN . 0.8 OUTLIER -84.91 108.05 17.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.44 -0.36 85.11 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.464 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -71.09 170.55 12.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.85 0.357 . . . . 0.0 110.856 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 39' ' ' ARG . 1.0 OUTLIER -57.99 145.95 34.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 47.0 m170 -69.43 119.73 14.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 131.91 -26.34 3.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.461 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 29.8 ttm -53.96 149.64 8.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.583 ' HB2' HD21 ' A' ' 57' ' ' LEU . 15.3 p90 -155.27 165.49 36.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.544 ' C ' HD12 ' A' ' 44' ' ' LEU . 4.4 pp -168.8 152.72 5.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 40.5 t -123.14 117.26 51.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.51 ' HD2' HG12 ' A' ' 26' ' ' VAL . 6.7 ptt85 -119.83 177.07 5.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -77.65 117.39 19.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.769 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.827 0.346 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -131.5 165.9 22.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.8 t -138.49 110.77 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.103 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.705 HD21 HG23 ' A' ' 59' ' ' VAL . 5.7 tt -83.38 108.51 16.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.4 m -86.39 118.54 25.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.705 HG23 HD21 ' A' ' 57' ' ' LEU . 1.1 t -122.68 145.31 29.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.1 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.3 t -92.38 108.69 20.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.861 ' CD ' HG22 ' A' ' 102' ' ' THR . 19.8 tt0 -153.44 150.71 29.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 58.86 47.31 12.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 72.3 m 45.87 37.23 3.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.97 176.64 12.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.839 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.516 HG11 ' HA ' ' A' ' 32' ' ' GLN . 38.9 t -104.93 97.06 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 59' ' ' VAL . 18.6 m -69.87 148.55 48.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -124.4 91.74 3.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.645 ' CE2' HD13 ' A' ' 100' ' ' LEU . 38.8 m-85 -85.34 99.63 11.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 96.2 mt -67.52 142.92 15.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.518 HD11 ' HB2' ' A' ' 57' ' ' LEU . 4.0 mp -118.48 108.53 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -67.02 144.07 56.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.7 t -102.89 105.48 15.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.886 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.456 HD11 ' HB2' ' A' ' 79' ' ' LYS . 19.8 mt -79.58 142.84 58.09 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.628 0.728 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -1.92 9.28 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.656 2.237 . . . . 0.0 112.365 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -100.79 46.76 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? 42.18 43.49 2.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -147.93 160.5 42.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -113.47 157.3 22.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.456 ' HB2' HD11 ' A' ' 73' ' ' LEU . 28.4 tttt -138.23 105.38 5.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.405 HD11 ' HB3' ' A' ' 68' ' ' TYR . 2.3 tt -88.82 101.25 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 76.12 -103.79 1.74 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.527 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -119.62 18.05 12.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.765 0.317 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 -125.46 156.46 38.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -127.63 151.66 48.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.593 ' CD2' ' HB2' ' A' ' 91' ' ' LEU . 98.4 m-85 -141.32 167.16 22.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -64.13 -32.21 73.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 1.01 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 2.9 p80 -175.98 -174.99 0.69 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.497 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 8.7 mt -56.55 -60.11 10.2 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.623 0.725 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 54.0 Cg_endo -69.76 10.01 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.632 2.222 . . . . 0.0 112.378 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 1.01 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -110.04 -21.43 12.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.081 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.593 ' HB2' ' CD2' ' A' ' 85' ' ' PHE . 3.1 pp -89.51 -40.9 12.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.464 HD22 ' CE2' ' A' ' 43' ' ' PHE . 18.8 mt -60.77 -34.87 75.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.467 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 5.5 pt-20 -70.35 -24.63 63.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -85.92 -22.87 27.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.502 ' CE1' HD23 ' A' ' 100' ' ' LEU . 9.2 m-85 -84.31 -21.74 30.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.467 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 18.6 mtpt -53.91 -20.58 6.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.454 HG13 ' N ' ' A' ' 98' ' ' HIS . 41.0 pt -111.24 -34.08 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.454 ' N ' HG13 ' A' ' 97' ' ' ILE . 51.4 m170 -90.26 134.75 34.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.761 ' CD2' HG23 ' A' ' 104' ' ' THR . 27.3 m-85 -86.5 114.42 23.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.645 HD13 ' CE2' ' A' ' 68' ' ' TYR . 11.1 mt -49.03 -74.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -114.62 -62.88 1.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.861 HG22 ' CD ' ' A' ' 61' ' ' GLU . 2.5 t -133.21 -1.23 3.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.2 t -150.37 179.42 8.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.761 HG23 ' CD2' ' A' ' 99' ' ' TYR . 38.5 p -120.45 177.72 4.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 86.4 mt -85.87 103.88 15.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.5 mm -80.99 -71.97 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -145.71 146.1 27.95 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.621 0.724 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 133.55 25.68 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.686 2.257 . . . . 0.0 112.323 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -39.56 153.27 0.19 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.557 0.694 . . . . 0.0 111.104 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.167 0 C-N-CA 122.683 2.255 . . . . 0.0 112.353 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.754 0.312 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -128.57 108.04 10.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -171.88 172.97 4.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -105.14 87.13 2.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.501 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 36.4 m -47.85 -24.61 1.04 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.1 p -80.49 -39.05 28.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.849 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.602 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 7.8 t70 -64.05 94.94 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.593 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 5.5 mtm105 -62.72 -32.24 73.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.0 t -73.67 6.65 2.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -116.72 -25.63 7.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.144 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.602 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 52.8 p-90 -130.41 -41.42 1.22 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.48 ' HB2' ' CZ3' ' A' ' 21' ' ' TRP . 9.2 t80 -69.95 100.75 1.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.641 ' O ' ' C ' ' A' ' 24' ' ' GLY . 4.5 mmt -88.93 8.68 28.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.641 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 10.05 -84.14 0.0 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.515 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.524 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.7 Cg_endo -69.73 76.57 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 2.229 . . . . 0.0 112.369 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.485 HG12 ' CB ' ' A' ' 46' ' ' ARG . 0.3 OUTLIER -145.92 138.49 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.7 m -81.87 142.45 32.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.3 ttt85 -48.35 -52.28 22.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -52.62 -31.5 36.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 32' ' ' GLN . 5.7 tt0 -72.85 -70.63 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.463 ' HB1' HD11 ' A' ' 44' ' ' LEU . . . -36.61 -28.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.521 ' HA ' HG21 ' A' ' 65' ' ' VAL . 4.2 mt-30 -74.28 -52.44 12.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.434 HG22 ' O ' ' A' ' 30' ' ' GLU . 1.5 t -61.55 -23.77 66.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -80.15 -27.27 39.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.473 HD13 ' C ' ' A' ' 58' ' ' SER . 13.8 mt -112.78 9.43 19.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -86.89 111.81 21.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.65 -26.55 5.8 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.462 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -48.98 160.16 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.78 152.08 4.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 60.2 m170 -71.4 114.22 9.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.811 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 140.63 -27.24 2.49 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.442 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 32.4 ttm -58.52 146.98 33.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.74 0.305 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.472 ' CB ' HD22 ' A' ' 105' ' ' LEU . 3.8 p90 -156.34 171.99 19.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.868 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.493 HD13 ' HG3' ' A' ' 23' ' ' MET . 4.2 pp -174.38 145.85 1.02 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.6 t -107.62 118.77 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.719 HH12 HG11 ' A' ' 56' ' ' VAL . 1.5 ptm180 -117.48 175.7 5.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -85.99 127.45 34.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.815 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.873 0.368 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -125.53 163.87 21.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.719 HG11 HH12 ' A' ' 46' ' ' ARG . 37.7 t -130.19 118.35 43.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.147 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.847 HD11 HG23 ' A' ' 59' ' ' VAL . 2.5 tm? -92.18 101.24 13.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.473 ' C ' HD13 ' A' ' 35' ' ' LEU . 4.6 m -83.6 121.47 27.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.847 HG23 HD11 ' A' ' 57' ' ' LEU . 1.7 t -125.74 150.65 31.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.133 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.0 t -97.7 106.27 18.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.715 ' CD ' HG22 ' A' ' 102' ' ' THR . 8.1 tt0 -155.6 142.08 18.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 61.8 53.22 3.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.0 m 41.65 33.52 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -153.81 178.02 10.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.521 HG21 ' HA ' ' A' ' 32' ' ' GLN . 38.8 t -103.4 99.8 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 59' ' ' VAL . 37.4 m -70.1 88.35 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -75.2 104.32 5.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.525 ' HB3' HD11 ' A' ' 80' ' ' ILE . 64.8 m-85 -100.06 96.69 7.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.943 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 98.0 mt -57.33 146.53 6.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.599 HD11 ' HB2' ' A' ' 57' ' ' LEU . 5.4 mp -120.71 107.59 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.141 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -69.94 140.77 53.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.6 t -96.59 107.0 19.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 33.1 mt -76.79 151.26 82.26 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.583 0.706 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -16.85 37.86 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.737 2.291 . . . . 0.0 112.341 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -92.7 41.84 1.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 31.7 mtt85 45.15 44.69 8.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -135.74 163.58 29.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.428 ' CE2' ' HG ' ' A' ' 88' ' ' LEU . 60.6 m-85 -115.4 139.5 49.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.5 tttm -122.94 104.12 9.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.603 HG23 ' O ' ' A' ' 80' ' ' ILE . 11.9 tt -94.04 102.97 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.98 -108.98 2.77 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.502 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -118.08 22.38 12.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.756 0.312 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -129.66 161.02 31.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -132.16 144.2 50.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.578 ' CD2' ' HB2' ' A' ' 91' ' ' LEU . 98.4 m-85 -131.45 175.3 9.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -71.57 -31.39 66.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 1.016 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 2.9 p80 -175.93 -175.05 0.7 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.5 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 8.7 mt -56.64 -60.09 10.33 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.573 0.702 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.0 Cg_endo -69.82 9.7 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.66 2.24 . . . . 0.0 112.29 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 1.016 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -109.31 -23.02 11.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.083 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.578 ' HB2' ' CD2' ' A' ' 85' ' ' PHE . 3.2 pp -89.09 -40.83 12.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.2 mt -61.24 -35.66 77.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.416 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 6.6 pt-20 -70.71 -24.76 62.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.508 ' CE2' ' CE1' ' A' ' 98' ' ' HIS . 22.4 t80 -86.72 -15.93 37.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.416 ' CE1' HD23 ' A' ' 100' ' ' LEU . 3.5 m-85 -91.28 -23.1 20.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.416 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 7.2 mtpm? -52.14 -21.66 3.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.943 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.448 HG13 ' N ' ' A' ' 98' ' ' HIS . 48.0 pt -109.17 -33.1 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.508 ' CE1' ' CE2' ' A' ' 94' ' ' PHE . 63.6 m170 -88.11 139.43 30.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.787 ' HA ' HG22 ' A' ' 104' ' ' THR . 11.3 m-85 -92.95 113.95 26.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.416 HD23 ' CE1' ' A' ' 95' ' ' TYR . 5.7 mt -50.39 -69.2 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.848 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -121.55 -62.15 1.45 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.715 HG22 ' CD ' ' A' ' 61' ' ' GLU . 13.5 t -129.12 -7.34 4.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.152 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 4.1 t -148.78 179.1 8.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.787 HG22 ' HA ' ' A' ' 99' ' ' TYR . 27.1 p -122.49 -179.59 4.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.472 HD22 ' CB ' ' A' ' 43' ' ' PHE . 95.0 mt -86.25 109.42 18.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 25.8 mm -87.86 -71.1 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -146.74 147.87 31.44 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.65 0.738 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 144.8 55.18 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.673 2.249 . . . . 0.0 112.378 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.605 ' HB1' ' HD2' ' A' ' 110' ' ' PRO . . . -47.19 161.17 0.32 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.606 0.717 . . . . 0.0 111.088 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.605 ' HD2' ' HB1' ' A' ' 109' ' ' ALA . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.17 0 C-N-CA 122.674 2.249 . . . . 0.0 112.364 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.789 0.328 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -106.58 96.88 6.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -150.22 166.31 30.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -85.89 103.94 15.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.43 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 14.0 p -67.55 -32.17 72.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.5 p -76.92 -38.81 52.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.78 ' OD2' ' HB2' ' A' ' 20' ' ' ALA . 25.1 t70 -60.4 92.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.587 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 21.6 mtm180 -64.38 -36.3 83.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.4 t -67.86 -1.2 5.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.78 ' HB2' ' OD2' ' A' ' 17' ' ' ASP . . . -105.12 -27.16 11.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.069 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.587 ' CZ2' ' HG3' ' A' ' 18' ' ' ARG . 55.1 p-90 -129.26 -44.74 1.25 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.494 ' N ' ' O ' ' A' ' 18' ' ' ARG . 12.3 t80 -61.31 106.69 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.957 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.886 ' HG3' HD13 ' A' ' 44' ' ' LEU . 5.0 mmt -84.62 -4.19 58.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.508 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 29.0 -91.68 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.498 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.503 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.9 Cg_endo -69.77 78.97 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.631 2.221 . . . . 0.0 112.392 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.73 HG21 ' HB3' ' A' ' 23' ' ' MET . 25.1 t -154.35 142.08 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 65.4 m -105.84 151.71 24.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -41.94 -48.51 4.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -50.52 -48.63 57.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.73 ' O ' HG22 ' A' ' 33' ' ' THR . 13.7 tt0 -65.51 -66.65 0.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 30' ' ' GLU . . . -33.58 -37.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.083 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 36' ' ' GLN . 5.3 mt-30 -63.83 -53.46 50.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.941 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.73 HG22 ' O ' ' A' ' 30' ' ' GLU . 6.4 t -60.37 -25.79 66.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -78.61 -28.0 45.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.53 ' CD2' ' HB2' ' A' ' 109' ' ' ALA . 21.6 mt -117.66 13.96 14.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 32' ' ' GLN . 0.4 OUTLIER -85.08 117.67 24.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.917 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.84 17.09 74.97 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -88.8 173.1 8.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.903 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.1 ptm85 -62.83 144.01 57.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.816 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 56.3 m170 -64.67 124.85 22.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.83 -30.38 4.64 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.489 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.5 ttm -52.72 138.37 29.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.541 ' CD2' HD22 ' A' ' 105' ' ' LEU . 3.2 p90 -143.52 169.9 16.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.886 HD13 ' HG3' ' A' ' 23' ' ' MET . 3.2 pp -168.81 143.67 3.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.484 HG22 HD23 ' A' ' 57' ' ' LEU . 26.0 t -116.05 114.85 47.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.12 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.421 ' NH1' ' O ' ' A' ' 26' ' ' VAL . 16.2 ptt85 -117.74 163.43 16.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -70.52 123.22 21.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.798 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.866 0.365 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -139.73 161.92 36.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.5 t -131.38 112.65 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.716 HD13 ' O ' ' A' ' 57' ' ' LEU . 2.5 tm? -88.99 100.41 13.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.6 m -84.66 123.76 30.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.512 HG23 HD11 ' A' ' 57' ' ' LEU . 0.9 OUTLIER -124.35 142.25 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.173 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.0 t -89.56 116.47 27.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.577 ' CG ' HG22 ' A' ' 102' ' ' THR . 17.0 tp10 -167.7 154.28 7.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 48.3 m-20 60.54 44.91 11.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.3 m 46.27 32.35 1.48 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.7 ptt-85 -151.44 -177.99 6.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 97.4 t -108.57 100.36 10.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 59' ' ' VAL . 5.0 m -69.19 141.26 54.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -123.06 95.55 4.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.616 ' HB3' HD11 ' A' ' 80' ' ' ILE . 59.4 m-85 -96.76 100.63 12.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 88.5 mt -67.31 142.55 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.133 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.669 HD11 ' HB2' ' A' ' 57' ' ' LEU . 4.7 mp -115.39 105.05 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -64.87 140.62 58.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.7 t -97.95 107.02 19.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.438 ' CB ' ' OD1' ' A' ' 75' ' ' ASN . 53.5 mt -79.41 150.51 73.75 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.618 0.723 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -13.61 34.9 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.265 . . . . 0.0 112.374 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.438 ' OD1' ' CB ' ' A' ' 73' ' ' LEU . 4.1 p30 -94.02 40.97 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? 45.27 38.85 3.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -132.21 150.95 52.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.472 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 57.8 m-85 -105.66 138.98 40.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.413 ' HB2' HD11 ' A' ' 73' ' ' LEU . 31.8 tttt -123.91 104.9 9.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.616 HD11 ' HB3' ' A' ' 68' ' ' TYR . 7.7 tt -97.57 104.08 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.21 -109.72 2.86 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -117.06 27.74 8.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.764 0.316 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -134.09 162.3 32.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -138.62 139.7 38.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.653 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 93.2 m-85 -129.05 174.36 9.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -69.51 -36.39 76.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.857 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 2.6 p80 -170.7 -175.02 1.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.489 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 8.7 mt -56.05 -60.46 8.79 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.604 0.716 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.5 Cg_endo -69.76 15.23 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.722 2.282 . . . . 0.0 112.332 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.857 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -114.15 -24.22 9.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.653 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.6 pp -87.76 -41.83 13.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.424 ' N ' HD12 ' A' ' 91' ' ' LEU . 24.2 mt -56.9 -35.84 69.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -72.63 -33.15 66.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -75.92 -23.78 55.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -80.22 -18.86 48.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -53.13 -21.33 4.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.461 HG13 ' N ' ' A' ' 98' ' ' HIS . 46.2 pt -111.72 -33.81 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.131 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.461 ' N ' HG13 ' A' ' 97' ' ' ILE . 50.3 m170 -90.98 128.92 37.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.653 ' CD2' HG23 ' A' ' 104' ' ' THR . 21.9 m-85 -85.05 113.78 21.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.457 HD22 ' CE2' ' A' ' 68' ' ' TYR . 3.1 mp -44.49 -62.63 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -127.67 -64.78 0.96 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.577 HG22 ' CG ' ' A' ' 61' ' ' GLU . 13.6 t -130.8 -5.39 4.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.449 ' CG2' ' OE1' ' A' ' 61' ' ' GLU . 6.0 t -147.24 170.71 16.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.653 HG23 ' CD2' ' A' ' 99' ' ' TYR . 3.1 p -112.8 178.15 4.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.161 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.541 HD22 ' CD2' ' A' ' 43' ' ' PHE . 83.2 mt -81.76 123.2 28.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 31.6 mm -100.64 -65.92 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -155.66 150.65 20.75 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.678 0.751 . . . . 0.0 110.827 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 139.47 40.39 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.673 2.249 . . . . 0.0 112.36 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.645 ' HB1' ' HD2' ' A' ' 110' ' ' PRO . . . -56.06 162.73 2.68 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.607 0.718 . . . . 0.0 111.076 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.645 ' HD2' ' HB1' ' A' ' 109' ' ' ALA . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.195 0 C-N-CA 122.679 2.252 . . . . 0.0 112.355 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.459 ' HB1' ' HG2' ' A' ' 96' ' ' LYS . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.821 0.343 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.2 tpp180 -102.4 94.27 5.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.589 ' CE1' ' HE2' ' A' ' 96' ' ' LYS . 26.3 p90 -153.22 164.76 37.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -93.43 93.46 8.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.417 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 4.9 m -59.05 -18.36 34.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.4 m -84.3 -38.91 19.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.824 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.65 ' OD2' ' HB2' ' A' ' 20' ' ' ALA . 44.3 t0 -62.6 91.83 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.582 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 12.1 mtp180 -61.42 -35.63 78.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 t -71.67 5.08 2.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.65 ' HB2' ' OD2' ' A' ' 17' ' ' ASP . . . -115.48 -25.59 7.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.601 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 61.5 p-90 -130.16 -42.15 1.23 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.938 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.565 ' HB2' ' CZ3' ' A' ' 21' ' ' TRP . 22.5 t80 -69.0 104.42 2.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.794 ' HG3' HD13 ' A' ' 44' ' ' LEU . 4.7 mmt -86.37 -6.4 58.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.524 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 27.54 -90.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.422 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.531 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.6 Cg_endo -69.84 79.22 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.311 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.75 HG21 ' HB3' ' A' ' 23' ' ' MET . 9.7 t -150.77 125.54 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.1 t -75.98 151.88 37.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.4 ttt85 -52.36 -49.29 64.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -55.05 -32.66 62.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 32' ' ' GLN . 13.4 tt0 -75.49 -69.15 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.535 ' HB1' HD21 ' A' ' 44' ' ' LEU . . . -37.08 -30.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 30' ' ' GLU . 4.9 mt-30 -69.57 -50.38 45.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 30' ' ' GLU . 1.0 OUTLIER -64.79 -21.09 66.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -77.39 -29.24 53.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.826 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.406 ' CD2' ' HG2' ' A' ' 42' ' ' MET . 12.4 mt -116.1 5.18 13.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -80.79 113.81 19.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.82 -27.73 7.81 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -52.82 164.63 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.857 0.36 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.41 151.53 23.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.412 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 39.8 m170 -67.09 125.47 26.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 131.35 -40.55 1.62 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.47 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.406 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 29.0 ttm -45.43 146.92 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.818 0.342 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.458 ' HB2' HG12 ' A' ' 59' ' ' VAL . 10.5 p90 -150.21 173.92 13.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.794 HD13 ' HG3' ' A' ' 23' ' ' MET . 1.2 pp -173.88 146.06 1.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.5 t -118.67 113.12 40.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.5 ptt85 -117.38 176.15 5.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -79.8 127.74 32.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.463 ' CB ' ' HB3' ' A' ' 54' ' ' ASP . 46.1 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.797 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.463 ' HB3' ' CB ' ' A' ' 48' ' ' SER . 1.6 t70 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.867 0.365 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -135.06 162.59 32.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.453 ' CG1' ' HB3' ' A' ' 67' ' ' HIS . 96.5 t -139.86 106.67 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.7 tp -76.37 104.31 6.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.445 ' HB3' ' CG1' ' A' ' 65' ' ' VAL . 51.0 m -94.77 127.04 40.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.617 HG22 ' HB2' ' A' ' 66' ' ' SER . 1.6 m -130.2 155.83 41.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.155 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.3 t -93.88 116.72 29.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.517 ' CG ' ' CG2' ' A' ' 102' ' ' THR . 7.9 tp10 -168.47 145.5 3.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 63.28 32.07 15.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.8 t 60.55 27.48 17.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.37 -179.07 6.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.445 ' CG1' ' HB3' ' A' ' 58' ' ' SER . 48.7 t -113.9 104.21 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.108 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.617 ' HB2' HG22 ' A' ' 59' ' ' VAL . 38.9 m -73.95 110.98 8.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.453 ' HB3' ' CG1' ' A' ' 56' ' ' VAL . 94.7 m-70 -92.08 97.99 11.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.673 ' O ' HD12 ' A' ' 70' ' ' ILE . 61.4 m-85 -91.47 100.16 12.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 67.6 mt -63.57 129.85 27.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.126 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.673 HD12 ' O ' ' A' ' 68' ' ' TYR . 3.9 mp -107.32 109.66 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 79' ' ' LYS . 30.4 m120 -76.61 129.28 36.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.7 t -90.69 106.15 18.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.518 ' HB2' ' ND2' ' A' ' 75' ' ' ASN . 21.0 mt -73.15 144.84 85.2 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.573 0.701 . . . . 0.0 110.936 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -2.13 9.64 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.718 2.278 . . . . 0.0 112.32 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.518 ' ND2' ' HB2' ' A' ' 73' ' ' LEU . 0.6 OUTLIER -98.1 44.24 1.04 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.401 ' HD2' ' C ' ' A' ' 75' ' ' ASN . 1.3 mpt_? 49.77 31.39 4.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 73' ' ' LEU . 6.8 mpt_? -144.1 163.22 34.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -111.48 -178.23 3.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 71' ' ' ASN . 13.0 tttp -158.83 105.23 1.78 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.478 HD13 ' HE2' ' A' ' 95' ' ' TYR . 1.9 tt -87.99 100.62 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.179 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.34 -99.94 0.93 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.497 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -121.65 24.83 9.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.757 0.313 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -129.33 157.61 41.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -129.48 151.97 49.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.59 ' CD2' ' HB3' ' A' ' 91' ' ' LEU . 97.9 m-85 -147.31 163.02 37.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.65 -33.62 68.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.587 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 2.1 p80 -176.04 -174.98 0.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.521 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 9.3 mt -55.28 -58.99 12.27 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 54.5 Cg_endo -69.71 21.65 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.674 2.25 . . . . 0.0 112.382 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.587 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -119.67 -33.88 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.59 ' HB3' ' CD2' ' A' ' 85' ' ' PHE . 3.9 pp -77.65 -43.11 32.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.501 ' N ' HD12 ' A' ' 91' ' ' LEU . 13.7 mt -58.59 -44.81 89.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -62.05 -34.76 76.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.591 ' CE2' ' CE1' ' A' ' 98' ' ' HIS . 42.2 t80 -73.55 -28.06 61.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.633 ' CE1' HD23 ' A' ' 100' ' ' LEU . 3.2 m-85 -76.51 -14.76 60.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.589 ' HE2' ' CE1' ' A' ' 13' ' ' PHE . 69.3 mttt -54.55 -20.28 7.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.463 HG13 ' N ' ' A' ' 98' ' ' HIS . 43.4 pt -114.99 -34.0 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.181 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.591 ' CE1' ' CE2' ' A' ' 94' ' ' PHE . 61.3 m170 -87.0 128.34 35.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.728 ' CD2' HG23 ' A' ' 104' ' ' THR . 23.0 m-85 -84.09 113.43 21.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.633 HD23 ' CE1' ' A' ' 95' ' ' TYR . 10.4 mt -47.15 -68.45 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -120.78 -66.56 1.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.517 ' CG2' ' CG ' ' A' ' 61' ' ' GLU . 14.1 t -129.02 -7.05 4.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.1 t -145.3 170.73 15.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.197 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.728 HG23 ' CD2' ' A' ' 99' ' ' TYR . 7.7 p -111.01 -177.23 3.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.182 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 99.5 mt -90.27 118.26 29.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 28.8 mm -96.47 -68.2 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -152.74 147.79 19.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.611 0.719 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 137.23 34.99 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.654 2.236 . . . . 0.0 112.35 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.4 ' HB2' ' CD2' ' A' ' 35' ' ' LEU . . . -45.95 151.43 0.88 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.591 0.71 . . . . 0.0 111.101 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.169 0 C-N-CA 122.719 2.279 . . . . 0.0 112.353 -179.983 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.804 0.335 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -108.55 92.0 3.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.511 ' CD1' ' O ' ' A' ' 106' ' ' ILE . 53.1 p90 -149.44 168.39 23.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -87.6 128.44 35.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.501 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 18.6 p -94.42 -24.48 17.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.81 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.7 p -81.63 -39.18 24.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.701 ' OD2' ' HB2' ' A' ' 20' ' ' ALA . 32.9 t0 -60.42 91.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.573 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 19.3 mtt180 -59.55 -32.81 70.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.8 t -73.28 3.95 5.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.701 ' HB2' ' OD2' ' A' ' 17' ' ' ASP . . . -113.27 -27.2 8.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.092 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.578 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 46.2 p-90 -128.12 -42.27 1.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.575 ' HB2' ' CZ3' ' A' ' 21' ' ' TRP . 37.4 t80 -75.35 104.76 6.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.637 ' O ' ' C ' ' A' ' 24' ' ' GLY . 3.0 mmt -90.25 12.49 17.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.895 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.637 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 10.91 -83.07 0.0 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.478 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.557 ' N ' ' O ' ' A' ' 23' ' ' MET . 54.4 Cg_endo -69.7 77.11 1.07 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.691 2.261 . . . . 0.0 112.374 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.624 HG21 ' HB3' ' A' ' 23' ' ' MET . 2.5 t -146.56 144.46 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 46.5 m -90.61 152.04 21.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -56.18 -47.93 77.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' A' ' 30' ' ' GLU . 8.2 pt20 -60.85 -32.38 71.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.82 ' O ' HG22 ' A' ' 33' ' ' THR . 11.9 tt0 -69.64 -70.22 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.696 ' HB2' ' HD2' ' A' ' 46' ' ' ARG . . . -35.62 -31.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.069 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.537 ' HA ' HG21 ' A' ' 65' ' ' VAL . 6.8 mt-30 -69.26 -48.23 62.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.82 HG22 ' O ' ' A' ' 30' ' ' GLU . 12.8 t -61.08 -25.46 66.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.443 ' NH1' ' O ' ' A' ' 110' ' ' PRO . 2.0 mtp-105 -80.94 -33.42 34.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.434 HD11 ' HG ' ' A' ' 44' ' ' LEU . 19.1 mt -107.96 8.54 28.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 32' ' ' GLN . 2.9 tp60 -87.37 112.63 22.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.36 -8.26 58.83 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.519 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -67.05 164.14 18.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.823 0.344 . . . . 0.0 110.933 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -56.83 138.06 53.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -57.19 122.4 12.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 132.97 -45.17 1.14 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 35.0 ttm -38.43 152.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -157.75 170.24 22.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.709 ' C ' HD12 ' A' ' 44' ' ' LEU . 2.6 pp -174.59 147.38 1.08 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.42 HG22 HD23 ' A' ' 57' ' ' LEU . 14.4 t -112.39 105.8 19.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.749 ' NH1' HG11 ' A' ' 56' ' ' VAL . 0.4 OUTLIER -105.2 174.39 5.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -68.47 131.12 44.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.454 ' HB3' ' C ' ' A' ' 54' ' ' ASP . 4.9 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.454 ' C ' ' HB3' ' A' ' 48' ' ' SER . 15.0 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.841 0.353 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -145.06 177.86 8.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.749 HG11 ' NH1' ' A' ' 46' ' ' ARG . 19.7 t -146.09 117.1 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.155 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.761 HD13 ' O ' ' A' ' 57' ' ' LEU . 2.2 tm? -99.24 100.88 12.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.405 ' HB3' ' CG1' ' A' ' 65' ' ' VAL . 20.1 m -92.91 146.81 23.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.569 HG22 ' HB2' ' A' ' 66' ' ' SER . 1.8 m -142.6 164.58 17.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.9 t -99.5 112.9 25.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.458 ' CG ' HG22 ' A' ' 102' ' ' THR . 5.2 tp10 -169.72 158.96 7.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 51.12 51.91 16.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.8 t 40.01 30.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.2 ptt85 -157.25 -176.53 6.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.537 HG21 ' HA ' ' A' ' 32' ' ' GLN . 16.6 t -109.86 112.33 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.569 ' HB2' HG22 ' A' ' 59' ' ' VAL . 5.8 m -82.4 94.18 7.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -78.43 103.3 8.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.439 ' CE2' HD13 ' A' ' 100' ' ' LEU . 50.6 m-85 -97.77 91.37 5.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.953 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.739 HD13 HG22 ' A' ' 56' ' ' VAL . 2.3 mm -46.76 160.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.143 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.54 HD11 ' CB ' ' A' ' 57' ' ' LEU . 4.9 mp -134.18 93.77 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -69.6 135.13 49.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.3 t -88.5 123.01 32.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 34.4 mt -89.86 151.05 44.93 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.618 0.723 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 2.0 3.91 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -111.01 46.03 1.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 42.02 44.05 2.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -140.72 164.84 29.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.68 ' CE2' ' CD2' ' A' ' 88' ' ' LEU . 43.5 m-85 -114.61 156.35 24.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -131.1 103.37 6.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.53 HG23 ' O ' ' A' ' 80' ' ' ILE . 8.4 tt -92.89 99.19 9.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.46 -104.4 1.67 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.523 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.33 4.99 14.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.735 0.303 . . . . 0.0 110.854 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -116.42 163.27 16.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -136.54 157.54 46.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.609 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 97.7 m-85 -143.77 -175.13 4.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -84.27 -28.17 27.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 1.011 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 3.0 p80 -175.75 -175.01 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.845 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.68 ' CD2' ' CE2' ' A' ' 78' ' ' PHE . 2.8 mm? -57.18 -60.06 10.83 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.566 0.698 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 54.2 Cg_endo -69.74 8.58 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.624 2.216 . . . . 0.0 112.369 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 1.011 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -106.5 -20.51 13.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.609 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.0 pp -99.69 -39.39 8.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.1 mt -62.3 -35.93 80.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.48 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 7.0 pt-20 -74.65 -25.73 59.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.579 ' CE2' ' CE1' ' A' ' 98' ' ' HIS . 32.2 t80 -83.48 -19.58 35.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -89.88 -22.11 22.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.48 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 24.0 mtpt -50.94 -19.01 0.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.443 HG13 ' N ' ' A' ' 98' ' ' HIS . 46.9 pt -114.53 -33.97 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.579 ' CE1' ' CE2' ' A' ' 94' ' ' PHE . 54.9 m170 -83.49 146.44 28.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.733 ' HA ' HG22 ' A' ' 104' ' ' THR . 19.7 m-85 -100.2 114.47 27.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.439 HD13 ' CE2' ' A' ' 68' ' ' TYR . 6.0 mt -55.43 -68.39 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -118.82 -66.86 1.03 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.458 HG22 ' CG ' ' A' ' 61' ' ' GLU . 5.8 t -128.66 -5.3 5.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 t -150.76 175.07 12.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.733 HG22 ' HA ' ' A' ' 99' ' ' TYR . 11.4 p -119.69 -178.05 3.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 48.8 mt -88.12 118.08 27.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.511 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 30.1 mm -93.85 -65.36 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -150.55 145.13 18.07 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.673 0.749 . . . . 0.0 110.849 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.481 ' HD3' ' CD2' ' A' ' 13' ' ' PHE . 53.0 Cg_endo -69.76 136.35 32.77 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.712 2.275 . . . . 0.0 112.311 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -52.4 149.01 11.01 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.594 0.712 . . . . 0.0 111.092 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.443 ' O ' ' NH1' ' A' ' 34' ' ' ARG . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.14 0 C-N-CA 122.705 2.27 . . . . 0.0 112.35 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.83 0.347 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -110.44 99.32 8.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -171.11 156.92 4.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -95.21 100.65 12.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.0 m -61.73 -9.99 7.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.5 p -90.24 -27.36 19.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.7 ' OD2' ' HB2' ' A' ' 20' ' ' ALA . 25.1 t0 -75.47 92.62 2.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.573 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 19.5 mtp180 -60.17 -32.26 70.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -74.95 9.02 2.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.7 ' HB2' ' OD2' ' A' ' 17' ' ' ASP . . . -121.03 -26.01 5.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.128 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.582 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 61.8 p-90 -129.32 -40.07 1.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.481 ' HB2' ' CZ3' ' A' ' 21' ' ' TRP . 10.3 t80 -73.78 98.92 3.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.949 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.673 ' O ' ' C ' ' A' ' 24' ' ' GLY . 3.5 mmt -94.71 19.86 9.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.673 ' C ' ' O ' ' A' ' 23' ' ' MET . . . -4.22 -71.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.471 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.515 ' N ' ' O ' ' A' ' 23' ' ' MET . 54.0 Cg_endo -69.74 73.35 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.723 2.282 . . . . 0.0 112.346 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.536 ' CG1' ' N ' ' A' ' 27' ' ' SER . 2.8 t -141.67 158.49 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.536 ' N ' ' CG1' ' A' ' 26' ' ' VAL . 69.2 m -111.32 132.81 54.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 27' ' ' SER . 4.1 tpt180 -35.25 -56.8 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -47.14 -41.63 18.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.563 ' O ' HG22 ' A' ' 33' ' ' THR . 9.8 tt0 -65.93 -67.0 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.47 ' CB ' ' HD3' ' A' ' 46' ' ' ARG . . . -35.21 -31.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.089 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' A' ' 30' ' ' GLU . 3.0 mt-30 -72.94 -55.25 6.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 30' ' ' GLU . 5.2 t -58.53 -24.97 61.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.0 mtp180 -78.48 -27.64 46.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.432 ' CD2' ' HG2' ' A' ' 42' ' ' MET . 12.7 mt -116.3 9.66 14.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 32' ' ' GLN . 0.8 OUTLIER -83.09 114.61 21.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.97 15.08 62.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.464 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -85.49 161.4 19.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.776 0.322 . . . . 0.0 110.949 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -46.94 132.6 11.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -55.68 125.26 20.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.38 -38.73 2.22 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.48 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.432 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 28.2 ttm -39.47 141.27 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.797 0.332 . . . . 0.0 110.861 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 108' ' ' PRO . 2.4 p90 -148.17 169.65 19.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.63 ' C ' HD12 ' A' ' 44' ' ' LEU . 2.3 pp -175.0 148.59 1.03 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.583 HG22 HD23 ' A' ' 57' ' ' LEU . 47.1 t -116.75 114.38 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.47 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -115.83 169.55 9.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -85.34 115.63 23.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.742 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.857 0.36 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -122.39 164.49 17.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.3 t -138.77 105.57 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.085 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.76 ' C ' HD13 ' A' ' 57' ' ' LEU . 2.3 tm? -83.21 107.53 15.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.8 m -97.26 145.69 25.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.65 ' CG1' HD11 ' A' ' 57' ' ' LEU . 1.1 m -149.12 151.03 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.123 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.4 t -88.71 104.03 16.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.618 ' CG ' HG22 ' A' ' 102' ' ' THR . 7.5 tt0 -150.73 147.17 27.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.867 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.457 ' N ' ' HG2' ' A' ' 61' ' ' GLU . 18.2 m-80 57.77 53.14 7.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.3 m 43.55 29.67 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -151.14 -179.62 7.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 88.6 t -111.13 95.82 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.553 ' HB3' HG22 ' A' ' 59' ' ' VAL . 1.0 OUTLIER -62.63 117.84 6.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.84 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -98.43 93.96 6.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.442 ' O ' HD12 ' A' ' 70' ' ' ILE . 58.9 m-85 -89.6 99.33 12.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 78.5 mt -72.06 129.91 35.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.442 HD12 ' O ' ' A' ' 68' ' ' TYR . 3.4 mp -101.61 104.34 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -68.39 134.26 49.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.3 t -86.78 114.09 23.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.526 HD11 ' HG2' ' A' ' 84' ' ' GLU . 47.6 mt -83.22 151.36 62.82 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.609 0.719 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -23.02 31.22 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.37 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -87.79 50.0 1.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 37.61 51.89 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.812 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -147.28 159.19 43.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.594 ' CE2' ' CD2' ' A' ' 88' ' ' LEU . 37.0 m-85 -108.06 158.83 17.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.5 tttt -140.14 105.08 4.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.571 HG23 ' O ' ' A' ' 80' ' ' ILE . 11.5 tt -94.9 106.44 18.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.5 -106.71 2.05 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.47 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -118.35 24.02 11.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.78 0.324 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 -134.22 162.33 32.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.526 ' HG2' HD11 ' A' ' 73' ' ' LEU . 46.8 mt-10 -131.6 150.06 52.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.634 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 97.2 m-85 -137.22 175.74 9.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -76.26 -32.83 59.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.788 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 2.2 p80 -175.98 -174.95 0.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.594 ' CD2' ' CE2' ' A' ' 78' ' ' PHE . 3.3 mm? -53.96 -60.78 6.51 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.612 0.72 . . . . 0.0 110.955 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.8 Cg_endo -69.76 13.31 0.29 Allowed 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.739 2.293 . . . . 0.0 112.376 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.788 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -111.9 -26.72 8.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.634 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.4 pp -91.52 -40.57 11.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 31.0 mt -58.67 -46.66 86.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -62.65 -29.68 70.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -77.7 -22.7 50.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.433 ' HE2' HG21 ' A' ' 80' ' ' ILE . 10.9 m-85 -93.85 -11.72 30.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.948 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -61.14 -13.85 20.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.485 HG12 ' N ' ' A' ' 98' ' ' HIS . 0.1 OUTLIER -120.02 -29.77 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.485 ' N ' HG12 ' A' ' 97' ' ' ILE . 50.3 m170 -91.35 143.78 26.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.594 ' HA ' HG22 ' A' ' 104' ' ' THR . 2.3 m-85 -94.08 113.61 25.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.954 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.0 mt -49.28 -67.82 0.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -119.79 -64.25 1.28 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.618 HG22 ' CG ' ' A' ' 61' ' ' GLU . 5.3 t -129.98 -5.58 4.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.176 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.3 t -147.87 -179.13 6.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.594 HG22 ' HA ' ' A' ' 99' ' ' TYR . 35.6 p -121.46 -177.8 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 91.3 mt -86.78 103.71 15.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 15.5 mm -77.66 -68.72 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -155.02 152.38 25.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.654 0.74 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' A' ' 43' ' ' PHE . 53.8 Cg_endo -69.73 129.65 18.0 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.693 2.262 . . . . 0.0 112.322 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -39.9 151.16 0.24 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.582 0.706 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 0.0 112.342 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.805 0.336 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -129.31 98.96 5.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -175.05 176.38 2.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -110.82 100.7 9.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.495 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 55.2 m -57.62 -26.32 61.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.4 p -73.7 -42.37 61.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.534 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 9.9 t0 -65.07 101.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.588 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 5.5 mtt85 -67.72 -36.3 80.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 t -65.77 -3.82 5.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -101.42 -31.34 10.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.588 ' CZ2' ' HG3' ' A' ' 18' ' ' ARG . 57.6 p-90 -124.52 -45.22 1.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.509 ' N ' ' O ' ' A' ' 18' ' ' ARG . 8.3 t80 -58.85 108.19 0.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.902 ' HG3' HD13 ' A' ' 44' ' ' LEU . 6.5 mmt -88.91 -2.77 58.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.834 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.503 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 29.52 -91.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.477 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.504 ' N ' ' O ' ' A' ' 23' ' ' MET . 54.3 Cg_endo -69.71 79.02 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.721 2.281 . . . . 0.0 112.359 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.711 HG21 ' HB3' ' A' ' 23' ' ' MET . 42.3 t -157.5 150.94 8.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.7 m -119.19 169.97 9.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.553 ' HG3' ' CE1' ' A' ' 67' ' ' HIS . 20.6 ttt180 -56.54 -49.39 74.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -46.38 -47.93 18.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.801 ' O ' HG22 ' A' ' 33' ' ' THR . 12.0 tt0 -73.34 -63.81 1.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.425 ' HB2' ' HD3' ' A' ' 46' ' ' ARG . . . -37.72 -37.08 0.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.757 ' HA ' HG21 ' A' ' 65' ' ' VAL . 8.7 mt-30 -64.91 -51.88 59.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.801 HG22 ' O ' ' A' ' 30' ' ' GLU . 6.1 t -59.89 -23.43 63.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.186 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 -82.2 -32.53 29.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 29.2 mt -108.22 5.86 26.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.501 ' N ' ' O ' ' A' ' 32' ' ' GLN . 0.7 OUTLIER -83.78 113.68 21.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.6 -29.92 5.15 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.481 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -48.85 162.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 110.949 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.457 ' NH1' ' HB3' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -59.63 160.15 7.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.902 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 41.7 m170 -75.97 120.35 21.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.16 -33.02 2.43 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.55 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 26.0 ttm -53.26 145.53 13.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.808 0.337 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.437 ' HB2' HG12 ' A' ' 59' ' ' VAL . 11.0 p90 -149.91 169.74 20.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.902 HD13 ' HG3' ' A' ' 23' ' ' MET . 1.3 pp -173.12 138.75 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.962 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 43.4 t -112.29 121.22 64.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.438 ' CD ' HG12 ' A' ' 26' ' ' VAL . 14.2 ptt85 -127.51 164.04 22.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -72.13 123.87 23.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.1 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.798 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.858 0.361 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -131.97 171.5 13.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.2 t -144.14 111.14 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.119 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 tp -85.28 104.06 14.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.97 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.0 m -93.11 130.11 38.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.668 HG22 ' HB2' ' A' ' 66' ' ' SER . 1.2 m -136.01 159.57 39.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.3 t -93.58 99.31 11.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.453 ' CG ' HG22 ' A' ' 102' ' ' THR . 0.3 OUTLIER -140.94 143.14 34.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.887 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 54.42 46.14 25.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.9 m 49.17 34.26 5.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.36 168.91 24.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.757 HG21 ' HA ' ' A' ' 32' ' ' GLN . 16.9 t -98.5 108.42 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.668 ' HB2' HG22 ' A' ' 59' ' ' VAL . 38.0 m -82.0 105.71 13.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.553 ' CE1' ' HG3' ' A' ' 28' ' ' ARG . 79.3 m-70 -87.12 93.8 9.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.48 ' O ' HD12 ' A' ' 70' ' ' ILE . 44.4 m-85 -86.2 102.42 13.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 81.6 mt -62.88 142.17 17.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.153 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.48 HD12 ' O ' ' A' ' 68' ' ' TYR . 5.2 mp -121.17 104.17 14.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -64.95 140.98 58.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 43.6 t -96.72 109.35 22.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 34.8 mt -80.74 148.58 65.63 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.624 0.726 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -22.26 32.39 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.66 2.24 . . . . 0.0 112.368 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -85.14 36.41 0.63 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.1 mtm180 50.06 47.93 22.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 76.0 mtt180 -141.92 156.36 45.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.475 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 81.2 m-85 -111.01 139.21 46.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.0 tttp -121.16 105.14 10.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.9 tt -91.97 103.98 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.64 -107.43 2.2 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.547 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -117.09 24.91 10.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.329 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -132.43 158.22 42.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -131.12 149.5 52.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.541 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 98.5 m-85 -138.64 172.94 12.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -69.54 -31.76 70.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 1.019 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 3.3 p80 -174.75 -175.01 0.86 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.504 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 8.7 mt -57.73 -59.73 12.13 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.711 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.7 Cg_endo -69.78 11.01 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.653 2.236 . . . . 0.0 112.335 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 1.019 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -109.56 -23.37 11.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.541 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.4 pp -89.08 -41.79 12.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.444 ' N ' HD12 ' A' ' 91' ' ' LEU . 16.3 mt -58.81 -36.64 74.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.453 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 6.1 pt-20 -71.59 -24.45 61.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.401 ' CD2' ' HE1' ' A' ' 85' ' ' PHE . 22.1 t80 -87.52 -15.27 38.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.435 ' CE1' HD23 ' A' ' 100' ' ' LEU . 3.1 m-85 -91.36 -22.77 20.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.968 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.453 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 6.8 mtpm? -51.51 -20.23 1.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.905 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.434 HG13 ' N ' ' A' ' 98' ' ' HIS . 46.1 pt -111.3 -32.2 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.434 ' N ' HG13 ' A' ' 97' ' ' ILE . 54.3 m170 -88.76 136.95 32.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.576 ' CD2' HG23 ' A' ' 104' ' ' THR . 12.6 m-85 -89.46 113.75 25.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.958 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.491 HD11 HD21 ' A' ' 105' ' ' LEU . 5.6 mt -54.06 -68.34 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -119.34 -66.23 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.453 HG22 ' CG ' ' A' ' 61' ' ' GLU . 8.1 t -131.77 -3.62 3.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.147 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 5.2 t -149.97 169.43 21.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.576 HG23 ' CD2' ' A' ' 99' ' ' TYR . 66.4 p -109.93 -179.92 3.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.113 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.491 HD21 HD11 ' A' ' 100' ' ' LEU . 74.4 mt -88.96 109.7 20.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 31.2 mm -87.04 -71.6 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -147.94 150.44 35.72 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 0.0 110.957 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 147.62 63.8 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.684 2.256 . . . . 0.0 112.358 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.468 ' HB1' ' HD2' ' A' ' 110' ' ' PRO . . . -61.79 157.36 49.94 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.542 0.687 . . . . 0.0 111.119 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.468 ' HD2' ' HB1' ' A' ' 109' ' ' ALA . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.172 0 C-N-CA 122.656 2.237 . . . . 0.0 112.343 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.838 0.352 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -129.37 101.63 6.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 31.6 p90 -166.96 168.19 14.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -99.53 106.22 18.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.484 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 45.6 p -64.06 -34.71 78.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 93.6 p -72.33 -36.34 68.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.692 ' OD2' ' HB2' ' A' ' 20' ' ' ALA . 25.1 t70 -68.79 97.22 0.8 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.593 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 13.0 mtm180 -66.69 -37.84 85.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.3 t -65.47 -3.9 5.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.692 ' HB2' ' OD2' ' A' ' 17' ' ' ASP . . . -101.38 -27.89 12.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.071 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.593 ' CZ2' ' HG3' ' A' ' 18' ' ' ARG . 52.8 p-90 -128.95 -46.05 1.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.954 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.519 ' N ' ' O ' ' A' ' 18' ' ' ARG . 10.0 t80 -54.28 111.62 0.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.683 ' HB3' HG21 ' A' ' 26' ' ' VAL . 7.1 mmt -91.52 -10.01 42.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.815 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.504 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 29.37 -92.03 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.508 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.5 Cg_endo -69.8 79.21 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.646 2.231 . . . . 0.0 112.317 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.683 HG21 ' HB3' ' A' ' 23' ' ' MET . 16.7 t -152.57 141.02 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.159 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 38.7 m -101.62 151.26 22.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.542 ' CZ ' ' CG ' ' A' ' 67' ' ' HIS . 5.4 tpt180 -44.21 -59.25 2.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.881 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -42.71 -43.27 3.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.704 ' O ' HG22 ' A' ' 33' ' ' THR . 10.7 tt0 -72.65 -65.62 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.85 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.491 ' CB ' ' HD3' ' A' ' 46' ' ' ARG . . . -34.47 -40.86 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.113 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.488 ' O ' ' N ' ' A' ' 36' ' ' GLN . 6.2 mt-30 -66.27 -55.29 16.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.704 HG22 ' O ' ' A' ' 30' ' ' GLU . 1.5 t -50.78 -21.73 1.79 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 -84.01 -31.86 25.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.451 ' CD2' ' HG2' ' A' ' 42' ' ' MET . 5.8 mt -114.32 14.23 17.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 32' ' ' GLN . 0.7 OUTLIER -89.58 105.63 17.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.44 -16.21 60.48 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -60.61 169.78 1.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.798 0.332 . . . . 0.0 110.909 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.1 ptp85 -68.84 131.85 45.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -46.63 133.69 10.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.34 -42.8 1.46 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.526 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.451 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 25.4 ttm -45.58 140.21 3.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.77 0.319 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.569 ' HB2' HG12 ' A' ' 59' ' ' VAL . 5.7 p90 -144.67 171.14 14.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.693 ' C ' HD12 ' A' ' 44' ' ' LEU . 2.9 pp -175.22 148.67 0.99 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 42.4 t -117.37 111.32 34.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.151 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.491 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -115.58 168.41 10.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -63.79 131.31 47.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.828 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.553 ' HA ' HG23 ' A' ' 56' ' ' VAL . 4.6 t . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.834 0.35 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -130.24 168.45 16.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.553 HG23 ' HA ' ' A' ' 48' ' ' SER . 67.2 t -139.95 109.97 3.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.089 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.484 ' HB3' HD11 ' A' ' 70' ' ' ILE . 3.2 tp -86.57 104.78 16.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.6 m -90.84 132.15 36.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.569 HG12 ' HB2' ' A' ' 43' ' ' PHE . 1.6 m -139.93 155.13 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.102 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.1 t -89.92 115.52 27.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.593 ' CG ' HG22 ' A' ' 102' ' ' THR . 3.0 tm-20 -158.35 139.09 12.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.487 ' ND2' ' OE2' ' A' ' 61' ' ' GLU . 1.5 m-80 61.8 50.14 4.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.5 m 45.12 30.86 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -149.03 178.86 8.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.476 HG21 ' HA ' ' A' ' 32' ' ' GLN . 25.4 t -108.45 102.95 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.5 m -77.07 104.24 7.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.542 ' CG ' ' CZ ' ' A' ' 28' ' ' ARG . 62.1 m-70 -90.22 89.38 7.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.836 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -82.0 124.5 29.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 77.3 mt -85.07 140.38 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.135 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.484 HD11 ' HB3' ' A' ' 57' ' ' LEU . 5.2 mp -118.5 105.3 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -69.65 134.71 49.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.1 t -93.96 99.09 11.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.815 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 19.7 mt -68.78 141.94 93.15 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.635 0.731 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -3.04 11.21 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.646 2.231 . . . . 0.0 112.351 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -97.59 40.72 1.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.47 ' CZ ' ' HA ' ' A' ' 76' ' ' ARG . 3.0 mmp_? 49.07 41.0 18.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -148.49 158.18 43.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.506 ' CD1' ' HA ' ' A' ' 87' ' ' HIS . 1.8 m-85 -108.35 162.83 13.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 34.9 tttt -141.52 105.15 4.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.6 tt -98.42 103.22 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.17 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.49 -106.41 2.11 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.464 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -119.73 22.2 11.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.79 0.329 . . . . 0.0 110.84 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -128.69 166.84 18.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -140.95 145.33 35.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.607 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 99.0 m-85 -134.47 -178.99 5.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -75.83 -32.75 59.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 1.02 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 3.2 p80 -172.46 -174.97 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.5 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 8.7 mt -57.62 -60.1 10.93 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.589 0.709 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.9 Cg_endo -69.7 11.86 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.69 2.26 . . . . 0.0 112.39 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 1.02 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -111.38 -21.85 11.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.607 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.3 pp -89.97 -41.09 11.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.0 mt -61.22 -38.45 86.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.406 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 6.7 pt-20 -67.44 -27.71 67.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.457 ' CE2' ' CE1' ' A' ' 98' ' ' HIS . 16.0 t80 -82.63 -21.38 35.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.612 ' CE1' HD23 ' A' ' 100' ' ' LEU . 8.7 m-85 -84.82 -22.3 29.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.952 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.406 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 6.7 mtpm? -49.93 -19.17 0.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 49.8 pt -115.73 -32.1 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.457 ' CE1' ' CE2' ' A' ' 94' ' ' PHE . 58.6 m170 -88.43 130.41 35.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.742 ' HA ' HG22 ' A' ' 104' ' ' THR . 9.7 m-85 -86.47 114.3 23.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.874 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.612 HD23 ' CE1' ' A' ' 95' ' ' TYR . 5.7 mt -53.0 -68.08 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -117.75 -68.25 0.93 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.593 HG22 ' CG ' ' A' ' 61' ' ' GLU . 10.3 t -126.48 -10.88 6.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 13.6 t -144.32 179.84 6.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.742 HG22 ' HA ' ' A' ' 99' ' ' TYR . 67.8 p -121.68 -174.87 2.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.183 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.502 HD22 ' CB ' ' A' ' 43' ' ' PHE . 52.2 mt -90.74 113.13 25.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 31.9 mm -93.87 -70.33 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.097 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -144.51 147.08 34.99 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.627 0.727 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 138.41 37.89 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.365 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.443 ' HB2' ' CD2' ' A' ' 35' ' ' LEU . . . -47.47 147.98 2.63 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.631 0.729 . . . . 0.0 111.036 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.191 0 C-N-CA 122.693 2.262 . . . . 0.0 112.379 179.981 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.722 0.296 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -99.63 84.94 3.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.557 ' CE1' ' HE3' ' A' ' 96' ' ' LYS . 52.0 p90 -157.87 155.38 29.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -88.24 121.85 31.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.496 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 77.2 p -78.78 -17.46 55.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 95.6 p -84.63 -37.17 21.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 20' ' ' ALA . 12.0 t0 -60.71 88.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.59 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 14.5 mtm180 -58.55 -34.45 71.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.8 t -71.95 2.82 5.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.49 ' N ' ' OD1' ' A' ' 17' ' ' ASP . . . -112.91 -27.41 8.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.117 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.59 ' CZ2' ' HG3' ' A' ' 18' ' ' ARG . 59.5 p-90 -128.34 -41.22 1.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.467 ' N ' ' CE3' ' A' ' 21' ' ' TRP . 5.5 t80 -67.03 124.72 23.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.668 ' O ' ' C ' ' A' ' 24' ' ' GLY . 3.1 mmt -123.27 18.89 9.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.874 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.668 ' C ' ' O ' ' A' ' 23' ' ' MET . . . -1.19 -73.65 0.0 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.517 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.529 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.3 Cg_endo -69.78 74.5 1.29 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.704 2.269 . . . . 0.0 112.338 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.679 HG11 ' HB2' ' A' ' 31' ' ' ALA . 2.5 t -137.71 155.72 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.49 ' N ' ' CG1' ' A' ' 26' ' ' VAL . 6.1 t -115.53 137.66 51.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 27' ' ' SER . 7.0 tpt180 -36.51 -53.52 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -55.41 -41.54 72.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.594 ' O ' HG22 ' A' ' 33' ' ' THR . 8.9 tt0 -65.25 -72.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.679 ' HB2' HG11 ' A' ' 26' ' ' VAL . . . -37.73 -30.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 36' ' ' GLN . 6.1 mt-30 -73.22 -50.0 24.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.594 HG22 ' O ' ' A' ' 30' ' ' GLU . 1.6 t -58.19 -23.9 57.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.447 ' NH1' ' O ' ' A' ' 110' ' ' PRO . 2.0 mtp-105 -81.62 -33.38 31.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.5 mt -107.37 8.16 29.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 32' ' ' GLN . 1.2 tp60 -86.57 113.13 22.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.95 -16.82 19.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.547 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.41 ' CG ' ' O ' ' A' ' 34' ' ' ARG . 11.8 mm100 -60.09 165.93 3.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.744 0.306 . . . . 0.0 110.925 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.82 158.67 6.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 21.6 m170 -76.66 124.25 27.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.844 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 129.61 -33.48 2.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.527 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 34.1 ttm -48.97 146.51 3.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.816 0.341 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -151.07 165.66 33.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.489 ' C ' HD12 ' A' ' 44' ' ' LEU . 3.4 pp -175.09 137.56 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.0 t -104.12 152.3 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.127 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.622 ' HG2' HG13 ' A' ' 56' ' ' VAL . 5.7 ptt85 -143.7 -178.08 5.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.457 ' O ' ' CG ' ' A' ' 47' ' ' ASP . 1.5 p-10 -95.02 111.96 23.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.81 -179.736 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.807 0.337 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.412 ' CD2' HD11 ' A' ' 88' ' ' LEU . 22.1 m-85 -136.0 -175.63 4.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.622 HG13 ' HG2' ' A' ' 46' ' ' ARG . 2.5 p -159.94 112.92 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.13 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.0 tp -86.02 105.5 16.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.9 m -91.07 129.53 37.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.62 HG22 ' HB2' ' A' ' 66' ' ' SER . 0.9 OUTLIER -136.34 160.06 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.085 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.5 t -97.14 102.28 14.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.997 ' CD ' HG22 ' A' ' 102' ' ' THR . 9.2 tt0 -152.65 151.65 30.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.467 ' N ' ' HG2' ' A' ' 61' ' ' GLU . 65.8 m-20 61.34 31.59 19.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.2 t 60.74 33.22 20.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -159.63 178.45 9.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 49.6 t -103.55 106.27 19.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.146 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.62 ' HB2' HG22 ' A' ' 59' ' ' VAL . 48.8 m -76.56 104.73 7.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -86.71 74.48 9.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.48 ' O ' HD12 ' A' ' 70' ' ' ILE . 43.9 m-85 -68.76 93.71 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 69.0 mt -63.76 123.06 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.151 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.481 ' CG2' ' HB3' ' A' ' 78' ' ' PHE . 4.5 mp -94.74 107.05 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.136 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -66.4 153.04 43.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.7 t -106.08 102.74 12.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.548 HD21 ' HB2' ' A' ' 79' ' ' LYS . 32.6 mt -73.54 145.89 85.43 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.575 0.702 . . . . 0.0 110.95 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -16.43 37.36 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.65 2.233 . . . . 0.0 112.318 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.45 ' O ' ' NH1' ' A' ' 77' ' ' ARG . 18.6 p-10 -83.15 35.3 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 53.87 37.0 25.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.45 ' NH1' ' O ' ' A' ' 75' ' ' ASN . 0.8 OUTLIER -143.0 167.52 21.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.913 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.481 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 89.6 m-85 -109.87 162.18 14.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.548 ' HB2' HD21 ' A' ' 73' ' ' LEU . 12.3 tttp -141.18 105.31 4.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.409 HG23 ' O ' ' A' ' 80' ' ' ILE . 3.7 tt -84.55 98.37 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 70.85 -97.66 0.65 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.44 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -120.81 22.28 11.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.749 0.309 . . . . 0.0 110.824 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -131.64 147.56 52.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.417 ' HG2' HD11 ' A' ' 73' ' ' LEU . 21.7 mt-10 -119.95 153.98 35.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.613 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 97.9 m-85 -146.24 158.43 43.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -56.99 -29.45 63.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 1.015 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 3.1 p80 -176.02 -175.0 0.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.818 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.51 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 9.8 mt -57.96 -59.41 13.28 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.59 0.71 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.7 Cg_endo -69.78 9.43 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.249 . . . . 0.0 112.356 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 1.015 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -107.16 -16.71 14.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.613 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.1 pp -97.93 -41.69 7.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.47 ' N ' HD12 ' A' ' 91' ' ' LEU . 16.6 mt -58.31 -33.87 69.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -76.61 -24.32 53.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -83.67 -15.2 49.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.498 ' CE1' HD23 ' A' ' 100' ' ' LEU . 5.4 m-85 -92.72 -14.24 28.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.557 ' HE3' ' CE1' ' A' ' 13' ' ' PHE . 36.2 mttp -57.0 -19.77 20.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.883 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.469 HG13 ' N ' ' A' ' 98' ' ' HIS . 42.3 pt -114.33 -34.47 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.469 ' N ' HG13 ' A' ' 97' ' ' ILE . 52.1 m170 -89.21 134.42 34.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.828 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.801 ' CD2' HG23 ' A' ' 104' ' ' THR . 20.5 m-85 -87.81 114.36 24.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.498 HD23 ' CE1' ' A' ' 95' ' ' TYR . 8.1 mt -46.47 -67.09 0.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -126.03 -62.81 1.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.997 HG22 ' CD ' ' A' ' 61' ' ' GLU . 8.2 t -128.52 -7.2 5.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.153 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.1 t -150.02 177.26 10.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.137 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.801 HG23 ' CD2' ' A' ' 99' ' ' TYR . 76.1 p -120.41 -178.36 3.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.173 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 86.0 mt -84.91 117.37 23.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 39.7 mm -94.36 -69.51 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -148.51 143.57 17.5 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.596 0.712 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 132.77 24.03 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.645 ' HB1' ' HD2' ' A' ' 110' ' ' PRO . . . -46.87 162.43 0.27 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.603 0.716 . . . . 0.0 111.093 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.645 ' HD2' ' HB1' ' A' ' 109' ' ' ALA . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.183 0 C-N-CA 122.639 2.226 . . . . 0.0 112.366 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.824 0.345 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.4 tpt85 -127.22 93.82 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -172.64 162.04 5.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -102.52 109.94 21.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.493 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 14.9 m -68.51 -23.7 64.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.3 t -73.57 -32.62 64.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.597 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 16.3 t70 -75.76 98.07 4.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.588 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 23.1 mtt180 -64.1 -39.91 95.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.8 t -64.85 -4.2 4.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.593 ' HB2' ' OD2' ' A' ' 17' ' ' ASP . . . -100.68 -26.55 13.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.077 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.597 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 51.7 p-90 -130.51 -47.03 1.07 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.517 ' N ' ' O ' ' A' ' 18' ' ' ARG . 10.0 t80 -58.01 96.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.954 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.573 ' HB3' HG21 ' A' ' 26' ' ' VAL . 6.6 mtt -99.75 37.1 1.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.557 ' C ' ' O ' ' A' ' 23' ' ' MET . . . -22.07 -67.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 72.07 1.46 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.728 2.285 . . . . 0.0 112.329 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.573 HG21 ' HB3' ' A' ' 23' ' ' MET . 15.7 t -148.18 124.72 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -81.19 149.19 29.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -48.43 -58.77 4.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -45.97 -30.23 1.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.758 ' O ' HG22 ' A' ' 33' ' ' THR . 11.3 tt0 -80.42 -69.29 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.677 ' HB1' HD21 ' A' ' 44' ' ' LEU . . . -36.24 -29.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 30' ' ' GLU . 5.3 mt-30 -71.5 -50.65 29.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.758 HG22 ' O ' ' A' ' 30' ' ' GLU . 10.9 t -59.44 -26.06 64.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -76.63 -33.62 58.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 mt -112.19 14.48 20.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 32' ' ' GLN . 0.9 OUTLIER -88.5 106.19 18.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.38 -6.65 83.02 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.497 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -69.44 164.44 23.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.751 0.31 . . . . 0.0 110.94 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -58.16 147.66 29.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 56.3 m170 -63.48 117.8 7.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 42' ' ' MET . . . 140.41 -47.18 0.89 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.465 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.456 ' HG2' ' HB2' ' A' ' 109' ' ' ALA . 17.9 ttm -37.24 143.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.341 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.682 ' HB2' HG12 ' A' ' 59' ' ' VAL . 5.5 p90 -151.5 162.95 40.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.677 HD21 ' HB1' ' A' ' 31' ' ' ALA . 1.1 pp -164.36 142.17 6.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 23' ' ' MET . 57.7 t -112.03 114.85 48.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.167 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.556 ' HD3' HD11 ' A' ' 44' ' ' LEU . 5.7 ptt85 -120.36 166.64 13.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -65.67 139.06 58.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.812 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.849 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.789 0.328 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -136.13 166.1 24.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.625 HG22 HG12 ' A' ' 69' ' ' ILE . 69.7 t -138.72 111.96 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.479 ' CB ' HD11 ' A' ' 70' ' ' ILE . 4.6 tp -89.62 100.78 13.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 44.1 m -90.94 126.06 35.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.682 HG12 ' HB2' ' A' ' 43' ' ' PHE . 1.5 m -133.8 157.9 42.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.117 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.0 t -91.05 101.67 14.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.574 ' CG ' HG22 ' A' ' 102' ' ' THR . 13.7 tt0 -143.75 144.54 31.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 57.84 53.08 7.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.1 m 45.32 30.94 0.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.8 ptt-85 -156.0 176.61 12.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 39.9 t -99.04 97.03 5.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.5 m -70.11 97.99 1.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.857 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -80.39 104.11 10.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -100.57 97.55 8.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.962 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.625 HG12 HG22 ' A' ' 56' ' ' VAL . 93.1 mt -64.78 136.01 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.479 HD11 ' CB ' ' A' ' 57' ' ' LEU . 5.2 mp -102.74 113.55 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.17 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -75.02 131.64 40.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.2 t -91.08 106.19 18.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.738 HD11 ' HB2' ' A' ' 79' ' ' LYS . 18.3 mt -82.98 151.38 63.61 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.629 0.728 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -23.97 30.37 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.665 2.243 . . . . 0.0 112.362 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 76' ' ' ARG . 55.7 t30 -78.67 49.32 0.88 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.845 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 75' ' ' ASN . 6.0 mmm180 35.87 42.8 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.2 mtp-105 -144.32 161.95 37.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -110.18 160.79 16.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.738 ' HB2' HD11 ' A' ' 73' ' ' LEU . 75.5 tttt -141.63 106.12 4.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.572 HG23 ' O ' ' A' ' 80' ' ' ILE . 15.1 tt -96.62 102.44 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.31 -108.08 2.58 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.537 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -118.11 21.35 12.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.71 0.29 . . . . 0.0 110.811 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -129.4 163.27 26.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -137.85 150.48 47.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.567 ' CD1' ' HA ' ' A' ' 91' ' ' LEU . 97.2 m-85 -137.96 -178.47 5.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.858 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -76.89 -29.83 55.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 1.008 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 2.7 p80 -175.88 -174.99 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.496 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 9.0 mt -56.5 -60.02 10.43 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.57 0.7 . . . . 0.0 110.921 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.2 Cg_endo -69.79 9.1 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.645 2.23 . . . . 0.0 112.346 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 1.008 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -109.01 -19.47 13.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.567 ' HA ' ' CD1' ' A' ' 85' ' ' PHE . 3.1 pp -94.73 -40.37 9.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.9 mt -64.17 -39.62 94.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.471 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 5.5 pt-20 -65.33 -25.21 67.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.619 ' CE2' ' CE1' ' A' ' 98' ' ' HIS . 31.7 t80 -84.6 -24.49 29.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.735 ' CE1' HD23 ' A' ' 100' ' ' LEU . 17.7 m-85 -84.14 -19.97 33.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.471 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 7.9 mtpm? -53.02 -19.18 2.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.917 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.437 HG13 ' N ' ' A' ' 98' ' ' HIS . 35.7 pt -116.24 -34.96 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.156 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.619 ' CE1' ' CE2' ' A' ' 94' ' ' PHE . 59.0 m170 -85.28 146.27 27.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.824 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.689 ' CD2' HG23 ' A' ' 104' ' ' THR . 3.3 m-85 -96.45 113.94 25.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.735 HD23 ' CE1' ' A' ' 95' ' ' TYR . 8.9 mt -48.77 -66.63 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.939 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -123.6 -63.36 1.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.574 HG22 ' CG ' ' A' ' 61' ' ' GLU . 11.8 t -127.55 -8.93 5.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 4.4 t -144.46 -175.95 4.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.689 HG23 ' CD2' ' A' ' 99' ' ' TYR . 44.5 p -124.39 -177.21 3.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.565 HD12 ' HB2' ' A' ' 95' ' ' TYR . 70.0 mt -91.81 105.01 17.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 25.5 mm -79.04 -70.75 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -151.32 152.56 31.18 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.586 0.708 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 140.12 41.81 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.637 2.225 . . . . 0.0 112.382 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.492 ' O ' ' HE1' ' A' ' 23' ' ' MET . . . -57.98 151.51 44.3 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.562 0.696 . . . . 0.0 111.087 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.153 0 C-N-CA 122.697 2.264 . . . . 0.0 112.322 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.789 0.328 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -125.25 90.26 3.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.495 ' CE1' ' NZ ' ' A' ' 96' ' ' LYS . 37.7 p90 -148.86 155.8 41.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -83.05 91.36 7.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.49 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 67.7 m -58.68 -24.09 60.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.6 m -77.88 -33.51 52.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.603 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 7.8 t70 -71.51 102.74 2.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.821 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.599 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 6.8 mtm-85 -66.5 -34.18 77.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.2 t -70.52 2.32 4.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.82 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -109.66 -26.2 10.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.082 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.603 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 56.8 p-90 -130.38 -43.55 1.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.448 ' N ' ' CE3' ' A' ' 21' ' ' TRP . 9.8 t80 -64.51 105.66 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.742 ' HB3' HG21 ' A' ' 26' ' ' VAL . 4.5 mmt -88.48 -1.48 58.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.503 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 28.67 -91.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.521 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.5 Cg_endo -69.77 79.49 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.706 2.271 . . . . 0.0 112.341 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.742 HG21 ' HB3' ' A' ' 23' ' ' MET . 24.9 t -154.09 130.02 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.9 m -89.79 162.03 15.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.475 ' HB3' ' CZ ' ' A' ' 28' ' ' ARG . 19.1 ttp-105 -54.48 -54.28 43.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -46.3 -31.08 2.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.572 ' O ' HG22 ' A' ' 33' ' ' THR . 10.4 tt0 -83.0 -70.6 0.54 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.451 ' HB1' HD11 ' A' ' 44' ' ' LEU . . . -35.83 -29.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.041 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.511 ' N ' ' O ' ' A' ' 30' ' ' GLU . 5.5 mt-30 -72.52 -53.48 11.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.572 HG22 ' O ' ' A' ' 30' ' ' GLU . 3.9 t -58.27 -23.05 54.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.448 ' NH1' ' O ' ' A' ' 110' ' ' PRO . 1.6 mtp-105 -78.67 -35.71 44.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.421 ' CD2' ' HG2' ' A' ' 42' ' ' MET . 12.3 mt -107.52 4.22 25.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 32' ' ' GLN . 0.7 OUTLIER -82.01 117.65 22.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.25 -21.36 7.17 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.446 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -57.96 169.23 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 110.934 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.23 154.69 34.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -69.59 124.0 22.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.414 ' HA3' ' CG1' ' A' ' 106' ' ' ILE . . . 132.6 -39.23 1.77 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.519 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.431 ' HG2' ' HB2' ' A' ' 109' ' ' ALA . 23.1 ttm -45.65 143.99 1.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.578 ' HB2' HG12 ' A' ' 59' ' ' VAL . 2.6 p90 -150.36 171.01 17.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.451 HD11 ' HB1' ' A' ' 31' ' ' ALA . 4.3 pp -174.84 149.25 1.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 30.6 t -120.55 122.67 68.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.47 ' NH2' ' CA ' ' A' ' 28' ' ' ARG . 4.3 ptt85 -125.24 179.82 4.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -82.02 109.87 16.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.419 ' CB ' HG23 ' A' ' 56' ' ' VAL . 1.6 p . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.856 0.36 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -117.74 165.55 13.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.945 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.419 HG23 ' CB ' ' A' ' 48' ' ' SER . 77.1 t -140.72 108.49 2.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.125 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.816 ' HB2' HD11 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -79.97 106.52 12.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.7 m -97.11 133.52 41.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.578 HG12 ' HB2' ' A' ' 43' ' ' PHE . 1.2 m -143.89 154.2 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.142 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.2 t -88.41 101.39 13.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.657 ' CD ' HG22 ' A' ' 102' ' ' THR . 12.5 tt0 -149.77 147.44 28.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.416 ' N ' ' HG2' ' A' ' 61' ' ' GLU . 44.1 m-20 56.74 54.88 6.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.4 t 41.69 30.39 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.2 ptt-85 -155.08 176.52 12.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.461 HG21 ' HA ' ' A' ' 32' ' ' GLN . 19.1 t -104.42 100.67 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.509 ' HB3' HG22 ' A' ' 59' ' ' VAL . 0.6 OUTLIER -64.42 112.11 2.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.844 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -97.76 82.91 3.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.545 ' O ' HD12 ' A' ' 70' ' ' ILE . 50.9 m-85 -78.79 114.03 17.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.929 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 80.2 mt -73.2 129.08 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.816 HD11 ' HB2' ' A' ' 57' ' ' LEU . 3.7 mp -106.17 106.53 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -70.83 140.72 51.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.4 t -100.99 100.65 11.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.816 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' A' ' 79' ' ' LYS . 19.4 mt -73.77 145.49 84.34 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.621 0.724 . . . . 0.0 110.942 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -4.69 14.53 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.701 2.267 . . . . 0.0 112.354 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -92.25 30.85 1.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 57.01 32.49 21.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -143.26 159.39 42.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -105.25 162.46 13.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.571 ' HB2' HD11 ' A' ' 73' ' ' LEU . 71.4 tttt -135.97 104.98 5.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.572 HG23 ' O ' ' A' ' 80' ' ' ILE . 5.8 tt -96.61 97.11 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.15 -108.4 2.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.453 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -118.71 28.12 8.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.793 0.33 . . . . 0.0 110.898 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -137.4 164.98 27.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -134.98 153.55 52.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.58 ' CD2' ' HB3' ' A' ' 91' ' ' LEU . 97.9 m-85 -139.95 169.83 16.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -67.19 -31.3 71.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.615 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 2.2 p80 -177.45 -175.02 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.523 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 8.8 mt -56.63 -58.92 14.11 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.628 0.728 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.7 Cg_endo -69.75 21.55 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.677 2.252 . . . . 0.0 112.343 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.615 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -117.92 -39.37 3.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.075 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.58 ' HB3' ' CD2' ' A' ' 85' ' ' PHE . 3.8 pp -73.37 -42.17 62.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.486 ' N ' HD12 ' A' ' 91' ' ' LEU . 13.1 mt -60.0 -38.7 83.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.477 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 2.8 mt-10 -64.8 -28.29 69.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.469 ' CE2' ' CE1' ' A' ' 98' ' ' HIS . 22.0 t80 -86.44 -15.93 38.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.603 ' CE1' HD23 ' A' ' 100' ' ' LEU . 5.9 m-85 -91.41 -24.79 19.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.993 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.495 ' NZ ' ' CE1' ' A' ' 13' ' ' PHE . 12.6 mtpp -49.22 -19.87 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.909 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 50.1 pt -114.87 -31.54 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.136 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.469 ' CE1' ' CE2' ' A' ' 94' ' ' PHE . 52.8 m170 -87.98 144.03 26.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.776 ' CD2' HG23 ' A' ' 104' ' ' THR . 5.2 m-85 -94.35 113.6 25.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.603 HD23 ' CE1' ' A' ' 95' ' ' TYR . 8.0 mt -51.93 -70.2 0.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -115.43 -66.3 1.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.657 HG22 ' CD ' ' A' ' 61' ' ' GLU . 10.2 t -127.69 -11.45 5.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.175 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.4 HG23 ' N ' ' A' ' 104' ' ' THR . 1.3 t -140.67 -178.58 5.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.776 HG23 ' CD2' ' A' ' 99' ' ' TYR . 52.0 p -123.45 175.98 6.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 83.3 mt -83.59 110.97 18.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.414 ' CG1' ' HA3' ' A' ' 41' ' ' GLY . 32.0 mm -87.3 -71.36 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -147.33 141.68 16.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.609 0.719 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 43' ' ' PHE . 53.6 Cg_endo -69.76 130.21 18.95 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.702 2.268 . . . . 0.0 112.304 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.431 ' HB2' ' HG2' ' A' ' 42' ' ' MET . . . -48.82 149.49 3.12 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.623 0.725 . . . . 0.0 111.075 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.448 ' O ' ' NH1' ' A' ' 34' ' ' ARG . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.185 0 C-N-CA 122.74 2.293 . . . . 0.0 112.334 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.761 0.315 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.2 tpt85 -140.73 106.13 5.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -169.23 174.24 6.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -101.6 86.76 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.826 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.487 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 66.5 m -50.66 -18.05 0.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.5 t -81.19 -42.1 21.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.608 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 11.1 t0 -58.97 89.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.593 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 15.8 mtm180 -57.09 -37.69 72.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.4 t -69.56 0.33 5.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.495 ' N ' ' OD1' ' A' ' 17' ' ' ASP . . . -108.72 -25.86 10.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.078 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.608 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 42.3 p-90 -129.69 -44.54 1.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.489 ' HB2' ' CZ3' ' A' ' 21' ' ' TRP . 15.9 t80 -69.1 97.67 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.888 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.607 ' HB3' HG21 ' A' ' 26' ' ' VAL . 5.1 mtt -98.18 35.06 1.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.599 ' C ' ' O ' ' A' ' 23' ' ' MET . . . -19.56 -69.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 72.42 1.44 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.681 2.254 . . . . 0.0 112.365 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.607 HG21 ' HB3' ' A' ' 23' ' ' MET . 9.5 t -147.36 142.18 19.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.113 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.0 m -93.29 153.82 18.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -52.75 -54.91 27.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -50.68 -42.18 56.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.712 ' O ' HG22 ' A' ' 33' ' ' THR . 9.8 tt0 -64.47 -64.63 0.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 30' ' ' GLU . . . -36.18 -36.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.107 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 36' ' ' GLN . 3.8 mt-30 -65.6 -54.05 33.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.712 HG22 ' O ' ' A' ' 30' ' ' GLU . 4.1 t -57.13 -23.63 48.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.418 ' HB3' ' NH1' ' A' ' 34' ' ' ARG . 1.5 mtp-105 -81.09 -34.11 32.88 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.592 HD11 ' CD2' ' A' ' 44' ' ' LEU . 14.0 mt -113.6 17.4 18.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 32' ' ' GLN . 1.1 tp60 -95.47 111.15 23.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.89 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.28 -22.08 34.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.53 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -60.11 164.1 4.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.784 0.326 . . . . 0.0 110.936 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.416 HH11 ' CE ' ' A' ' 42' ' ' MET . 0.1 OUTLIER -57.91 154.8 11.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 50.8 m170 -70.42 117.54 12.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 139.77 -40.91 1.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.432 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 30.0 ttm -44.86 142.01 1.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.418 ' HB2' HG12 ' A' ' 59' ' ' VAL . 11.0 p90 -144.84 172.29 13.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.592 ' CD2' HD11 ' A' ' 35' ' ' LEU . 3.5 pp -173.38 137.46 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.467 HG11 HD11 ' A' ' 88' ' ' LEU . 47.4 t -106.38 103.6 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.539 HH12 HG11 ' A' ' 56' ' ' VAL . 0.6 OUTLIER -106.2 177.98 4.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -80.01 131.55 35.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.565 ' HB2' HG23 ' A' ' 56' ' ' VAL . 32.5 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.765 0.316 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.43 ' CE2' ' CE2' ' A' ' 78' ' ' PHE . 20.5 m-85 -118.03 169.12 9.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.565 HG23 ' HB2' ' A' ' 48' ' ' SER . 84.4 t -138.19 108.87 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.128 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.7 tp -88.48 102.11 14.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.4 m -90.74 129.74 36.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.557 HG22 ' HB3' ' A' ' 66' ' ' SER . 1.0 OUTLIER -135.31 151.82 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.196 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.8 t -84.54 118.63 24.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.588 ' HG3' HG22 ' A' ' 102' ' ' THR . 2.1 tm-20 -160.68 137.99 9.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.479 ' ND2' ' OE2' ' A' ' 61' ' ' GLU . 2.2 m-80 57.22 52.47 8.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.0 m 46.03 30.63 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.427 ' CG ' ' O ' ' A' ' 61' ' ' GLU . 0.1 OUTLIER -146.03 -178.71 6.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.466 HG21 ' HA ' ' A' ' 32' ' ' GLN . 78.6 t -115.16 96.89 4.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.557 ' HB3' HG22 ' A' ' 59' ' ' VAL . 1.0 OUTLIER -66.33 118.13 9.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.831 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -97.91 97.76 9.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -90.42 101.89 14.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.944 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 83.0 mt -68.6 137.14 25.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.456 ' CG2' ' HB3' ' A' ' 78' ' ' PHE . 5.3 mp -116.99 107.2 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -71.98 129.53 38.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.6 t -82.82 111.97 19.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.831 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.528 HD21 ' HB2' ' A' ' 79' ' ' LYS . 37.6 mt -78.37 151.05 77.62 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.569 0.7 . . . . 0.0 110.94 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -23.82 30.36 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.656 2.237 . . . . 0.0 112.396 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -86.29 49.52 1.81 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.7 mmm-85 39.5 49.15 1.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -145.52 158.15 43.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.456 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 88.5 m-85 -108.99 154.11 22.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.528 ' HB2' HD21 ' A' ' 73' ' ' LEU . 63.2 tttt -133.5 102.17 5.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.7 tt -95.04 110.13 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 70.61 -108.41 2.47 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.508 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -118.94 23.35 11.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.731 0.301 . . . . 0.0 110.828 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -131.95 163.98 27.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -136.46 143.23 43.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.594 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 97.5 m-85 -128.69 -179.37 5.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.857 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -81.23 -27.32 35.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 1.002 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 3.1 p80 -175.84 -174.99 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.536 ' HB3' ' CH2' ' A' ' 21' ' ' TRP . 3.8 mm? -57.16 -60.19 10.41 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.627 0.727 . . . . 0.0 110.948 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 54.0 Cg_endo -69.72 8.49 0.75 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.688 2.259 . . . . 0.0 112.328 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 1.002 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -105.93 -16.63 14.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.111 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.594 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 2.7 pp -100.99 -40.04 7.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.0 mt -63.65 -37.2 86.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.947 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -73.18 -26.17 61.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -82.59 -25.74 32.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.444 ' CE1' HD23 ' A' ' 100' ' ' LEU . 6.8 m-85 -81.31 -17.03 50.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.6 mttm -49.22 -21.9 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 48.6 pt -111.97 -32.26 2.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.507 ' O ' HG22 ' A' ' 104' ' ' THR . 62.6 m170 -86.63 146.39 26.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.657 ' CD2' HG23 ' A' ' 104' ' ' THR . 2.2 m-85 -101.64 114.65 28.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.444 HD23 ' CE1' ' A' ' 95' ' ' TYR . 5.7 mt -51.84 -66.84 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.957 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -117.94 -67.74 0.97 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.588 HG22 ' HG3' ' A' ' 61' ' ' GLU . 12.9 t -130.68 -3.88 4.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 9.7 t -146.09 175.91 10.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.188 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.657 HG23 ' CD2' ' A' ' 99' ' ' TYR . 81.7 p -116.03 177.29 4.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.125 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.0 mt -86.27 114.5 23.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 24.4 mm -93.16 -70.28 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -149.46 144.09 17.52 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.588 0.709 . . . . 0.0 110.905 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 138.21 37.24 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -50.49 150.9 4.34 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.575 0.703 . . . . 0.0 111.134 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.162 0 C-N-CA 122.66 2.24 . . . . 0.0 112.374 179.994 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.7 p 44.59 45.08 7.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.888 0.375 . . . . 0.0 110.905 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m -108.52 108.36 19.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.69 145.4 8.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.495 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.8 p -171.98 168.29 5.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.893 0.378 . . . . 0.0 110.834 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.2 p -130.36 174.88 9.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.828 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.78 158.78 15.3 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.539 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.6 ttp -98.99 40.86 1.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.9 m -130.41 106.64 8.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.2 m -49.06 -45.25 42.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.863 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.84 108.26 17.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -134.27 79.3 1.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.418 ' CG ' ' HD3' ' A' ' 108' ' ' PRO . 32.9 p90 -152.91 151.85 30.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -84.47 119.68 25.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.825 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.421 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 18.6 p -76.64 -34.1 58.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 m -82.58 17.64 1.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.553 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 11.4 t70 -119.28 91.45 3.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.592 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 5.8 mtm-85 -59.54 -34.81 73.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 t -71.48 3.22 4.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.858 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.431 ' HB2' ' OD1' ' A' ' 17' ' ' ASP . . . -112.78 -27.02 8.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.113 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.592 ' CZ2' ' HG3' ' A' ' 18' ' ' ARG . 48.2 p-90 -129.34 -41.47 1.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.438 ' N ' ' O ' ' A' ' 18' ' ' ARG . 7.4 t80 -66.05 116.41 7.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.726 ' HB3' HG21 ' A' ' 26' ' ' VAL . 4.6 mmt -96.04 0.67 51.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.514 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 28.96 -91.7 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.439 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.509 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.5 Cg_endo -69.77 78.72 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.7 2.267 . . . . 0.0 112.293 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.726 HG21 ' HB3' ' A' ' 23' ' ' MET . 33.0 t -155.42 135.59 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.8 m -103.69 161.4 13.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.5 ttt85 -49.11 -54.01 18.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -44.2 -43.88 7.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.614 ' O ' HG22 ' A' ' 33' ' ' THR . 17.2 tt0 -74.8 -67.28 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 30' ' ' GLU . . . -35.39 -40.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.085 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.496 ' O ' ' N ' ' A' ' 36' ' ' GLN . 4.4 mt-30 -61.84 -53.56 54.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.614 HG22 ' O ' ' A' ' 30' ' ' GLU . 1.3 t -59.15 -22.96 61.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.067 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -81.39 -30.82 33.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.446 ' CD2' ' HG2' ' A' ' 42' ' ' MET . 15.3 mt -112.05 7.82 19.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 32' ' ' GLN . 1.1 tp60 -84.55 107.17 16.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.98 -15.33 53.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.536 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -59.41 161.31 5.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 110.918 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 4.5 ptp180 -51.39 141.34 15.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 47.2 m170 -61.94 124.71 21.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.41 -30.62 4.22 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.441 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.446 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 31.8 ttm -51.11 144.19 9.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.462 ' CB ' HG22 ' A' ' 59' ' ' VAL . 2.2 p90 -151.05 169.85 20.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.517 HD13 ' HG3' ' A' ' 23' ' ' MET . 4.3 pp -171.14 152.11 3.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.7 t -122.53 119.83 59.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.528 ' HD2' HG12 ' A' ' 26' ' ' VAL . 16.5 ptt-85 -123.79 170.47 10.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -72.66 117.55 14.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.7 t -58.31 152.57 17.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 78.7 p -110.25 -48.48 3.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.817 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.5 p -46.86 -43.53 18.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.7 m -129.31 135.94 28.36 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.608 0.718 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 123.56 10.24 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.684 2.256 . . . . 0.0 112.368 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 102.34 -48.89 1.03 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.527 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -54.27 164.38 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -127.66 170.33 12.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 23.5 t -137.42 113.19 11.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.46 ' CB ' HD11 ' A' ' 70' ' ' ILE . 26.1 tp -90.27 90.54 8.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.3 m -74.72 119.17 18.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.478 ' O ' ' N ' ' A' ' 66' ' ' SER . 2.2 t -118.84 154.63 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.09 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.464 ' N ' ' CG1' ' A' ' 59' ' ' VAL . 11.9 t -102.72 119.69 39.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.448 ' CG ' ' CG2' ' A' ' 102' ' ' THR . 6.8 tp10 -171.98 149.79 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.876 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 60.28 39.31 19.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.0 m 54.79 26.44 7.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -146.22 -177.26 5.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.415 HG21 ' HA ' ' A' ' 32' ' ' GLN . 45.8 t -109.77 100.84 11.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 59' ' ' VAL . 3.9 m -74.09 97.68 2.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -80.15 108.51 13.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.661 ' HB3' HD11 ' A' ' 80' ' ' ILE . 47.6 m-85 -99.56 94.87 6.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 88.4 mt -60.22 143.0 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.503 HD12 ' O ' ' A' ' 68' ' ' TYR . 5.0 mp -118.64 97.56 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -60.11 146.32 43.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.7 t -98.11 102.88 14.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 71.5 mt -74.77 147.71 84.44 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.645 0.736 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -20.59 34.9 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.691 2.261 . . . . 0.0 112.339 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -87.45 38.56 0.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? 48.54 42.55 19.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 69.2 mtt180 -134.6 166.77 22.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.452 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 58.2 m-85 -118.71 136.21 54.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -118.55 101.47 8.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.661 HD11 ' HB3' ' A' ' 68' ' ' TYR . 5.5 tt -91.46 98.86 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.109 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.78 -108.54 2.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.516 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -117.84 24.8 10.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.734 0.302 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -131.97 161.55 32.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -134.97 149.94 50.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.569 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 98.9 m-85 -140.22 -178.7 5.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -76.11 -30.28 58.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 1.011 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 2.9 p80 -175.97 -175.03 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.497 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 8.5 mt -56.45 -60.13 10.06 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.614 0.721 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.9 Cg_endo -69.75 9.78 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 1.011 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -109.94 -16.13 13.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.569 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.0 pp -97.05 -41.03 8.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.409 ' N ' HD12 ' A' ' 91' ' ' LEU . 8.4 mt -61.73 -34.74 76.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.45 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 11.7 pt-20 -71.9 -24.84 61.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.564 ' CE2' ' CE1' ' A' ' 98' ' ' HIS . 29.6 t80 -84.81 -17.47 38.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.617 ' CE1' HD23 ' A' ' 100' ' ' LEU . 10.1 m-85 -92.7 -18.57 22.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.45 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 23.4 mtpt -52.29 -18.72 1.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.418 HG13 ' N ' ' A' ' 98' ' ' HIS . 48.8 pt -117.2 -33.9 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.564 ' CE1' ' CE2' ' A' ' 94' ' ' PHE . 62.8 m170 -83.84 143.81 29.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.766 ' HA ' HG22 ' A' ' 104' ' ' THR . 6.7 m-85 -95.36 114.59 26.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.661 HD13 ' CE2' ' A' ' 68' ' ' TYR . 6.8 mt -51.02 -68.66 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.938 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -120.96 -64.86 1.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.448 ' CG2' ' CG ' ' A' ' 61' ' ' GLU . 14.2 t -126.21 -8.07 6.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.9 t -146.56 -176.23 5.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.16 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.766 HG22 ' HA ' ' A' ' 99' ' ' TYR . 31.0 p -125.74 174.07 8.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.184 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.571 HD12 ' HB2' ' A' ' 95' ' ' TYR . 41.1 mt -81.1 111.81 17.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.8 mm -87.67 -68.35 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -151.64 151.99 29.59 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.669 0.747 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.418 ' HD3' ' CG ' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.85 143.46 50.5 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.682 2.255 . . . . 0.0 112.348 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.512 ' HB1' ' HD2' ' A' ' 110' ' ' PRO . . . -51.33 158.5 1.35 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.566 0.698 . . . . 0.0 111.09 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.512 ' HD2' ' HB1' ' A' ' 109' ' ' ALA . 53.6 Cg_endo -69.75 148.54 65.38 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.724 2.283 . . . . 0.0 112.333 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 110' ' ' PRO . 16.6 mmt180 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 002 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 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 t -99.54 142.22 31.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 110.845 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.7 m -103.08 96.54 6.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.27 -90.84 0.34 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.475 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t 66.05 42.95 3.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 0.0 110.85 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.8 p -141.03 137.93 33.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.839 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.23 116.91 1.18 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.63 86.03 3.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.779 0.324 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.1 m -154.88 120.36 5.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.816 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 11' ' ' ALA . 58.6 m -64.22 159.98 19.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 10' ' ' SER . . . 36.16 51.43 0.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.106 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? -110.43 93.36 4.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -147.83 167.05 25.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -96.02 91.37 5.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.477 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 92.9 p -55.35 -16.46 3.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.807 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.6 t -83.07 -40.95 19.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.555 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 11.9 t0 -59.85 88.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.843 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.582 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 22.7 mtt180 -57.9 -37.24 73.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.5 t -69.61 -0.92 7.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.461 ' N ' ' OD1' ' A' ' 17' ' ' ASP . . . -107.83 -28.05 9.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.582 ' CZ2' ' HG3' ' A' ' 18' ' ' ARG . 60.8 p-90 -127.14 -43.06 1.67 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.479 ' N ' ' O ' ' A' ' 18' ' ' ARG . 20.8 t80 -68.93 113.15 6.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.73 ' HB3' HG21 ' A' ' 26' ' ' VAL . 6.4 mmt -94.46 -3.53 49.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.53 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 26.09 -89.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.545 ' N ' ' O ' ' A' ' 23' ' ' MET . 54.1 Cg_endo -69.75 78.86 0.98 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.629 2.219 . . . . 0.0 112.323 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.73 HG21 ' HB3' ' A' ' 23' ' ' MET . 10.5 t -151.65 135.19 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.2 t -82.83 158.76 22.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.401 ' HA ' ' CZ ' ' A' ' 46' ' ' ARG . 33.8 ttt180 -60.75 -48.85 79.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -53.5 -33.12 53.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.73 ' O ' HG22 ' A' ' 33' ' ' THR . 15.7 tt0 -73.85 -68.84 0.48 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.415 ' HB2' ' HD3' ' A' ' 46' ' ' ARG . . . -36.6 -29.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.557 ' HA ' HG21 ' A' ' 65' ' ' VAL . 5.0 mt-30 -72.49 -51.21 21.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.73 HG22 ' O ' ' A' ' 30' ' ' GLU . 9.7 t -58.96 -26.17 64.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.153 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 110' ' ' PRO . 1.7 mtp-105 -79.39 -32.7 43.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.45 HD13 ' C ' ' A' ' 58' ' ' SER . 8.3 mt -110.02 10.92 24.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.497 ' N ' ' O ' ' A' ' 32' ' ' GLN . 1.5 tp60 -90.52 111.69 23.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.75 -18.34 26.25 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -58.13 172.27 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.76 0.314 . . . . 0.0 110.953 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -66.59 140.98 57.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 56.6 m170 -60.01 124.7 21.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 132.13 -35.27 2.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.485 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 30.0 ttm -53.11 147.11 10.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.859 0.362 . . . . 0.0 110.836 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 108' ' ' PRO . 5.2 p90 -154.83 170.93 20.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.566 ' C ' HD12 ' A' ' 44' ' ' LEU . 4.1 pp -169.14 155.13 6.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.467 ' O ' ' CD1' ' A' ' 22' ' ' TYR . 20.1 t -126.14 108.44 19.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.415 ' HD3' ' HB2' ' A' ' 31' ' ' ALA . 19.0 ptt-85 -114.36 173.91 6.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -76.54 123.84 26.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 4.8 t -68.31 117.73 10.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 50' ' ' THR . 52.3 m -74.46 -50.42 18.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 49' ' ' SER . 29.7 p -35.12 -40.77 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.141 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 13.1 m -158.0 143.42 12.28 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.601 0.715 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 151.19 69.16 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.739 2.293 . . . . 0.0 112.341 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.52 -36.88 3.19 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.523 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' A' ' 48' ' ' SER . 5.1 m-20 -79.53 152.11 30.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.354 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -125.23 166.76 15.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.3 t -134.66 119.43 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.624 ' HB2' HD11 ' A' ' 70' ' ' ILE . 26.6 tp -93.05 89.13 6.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.45 ' C ' HD13 ' A' ' 35' ' ' LEU . 45.4 m -77.49 117.64 19.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.538 HG13 ' HB2' ' A' ' 66' ' ' SER . 0.1 OUTLIER -130.12 141.25 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.106 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.5 t -79.6 118.27 21.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.503 ' CG ' HG22 ' A' ' 102' ' ' THR . 4.0 tp10 -169.98 143.66 2.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 62.05 50.86 3.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.943 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.2 t 44.35 33.38 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 42.2 ptt85 -162.95 173.24 13.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.557 HG21 ' HA ' ' A' ' 32' ' ' GLN . 59.9 t -98.47 106.26 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.538 ' HB2' HG13 ' A' ' 59' ' ' VAL . 61.4 m -73.46 89.51 1.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -68.46 85.07 0.28 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.61 ' HB3' HD11 ' A' ' 80' ' ' ILE . 21.3 m-85 -80.11 92.89 5.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 91.7 mt -61.38 144.71 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.624 HD11 ' HB2' ' A' ' 57' ' ' LEU . 5.2 mp -117.43 109.61 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -72.69 133.69 44.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.3 t -91.72 111.32 22.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.428 HD11 ' HB2' ' A' ' 79' ' ' LYS . 22.9 mt -83.55 149.77 58.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.608 0.718 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -7.89 22.21 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.707 2.271 . . . . 0.0 112.36 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.99 24.52 4.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 40.8 mtt85 61.92 26.86 16.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.28 157.99 35.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.836 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.572 ' CE2' ' HG ' ' A' ' 88' ' ' LEU . 47.8 m-85 -106.01 147.52 28.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.428 ' HB2' HD11 ' A' ' 73' ' ' LEU . 77.0 tttt -128.43 101.87 6.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.61 HD11 ' HB3' ' A' ' 68' ' ' TYR . 4.7 tt -91.7 102.6 13.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.99 -106.7 2.08 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -116.46 18.25 15.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.791 0.329 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.8 mp0 -123.84 156.6 35.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -131.73 142.97 49.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.57 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 99.3 m-85 -132.32 177.99 7.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -75.74 -30.94 59.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 1.013 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 2.9 p80 -175.88 -175.03 0.71 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.572 ' HG ' ' CE2' ' A' ' 78' ' ' PHE . 9.3 mt -56.56 -60.23 9.84 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.618 0.723 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.1 Cg_endo -69.78 9.0 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.656 2.238 . . . . 0.0 112.339 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 1.013 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -107.92 -22.07 12.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.57 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.2 pp -92.53 -40.14 10.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 23.8 mt -60.68 -34.57 74.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.481 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 5.4 pt-20 -72.39 -26.44 61.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.869 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -84.23 -22.25 30.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.547 ' CE1' HD23 ' A' ' 100' ' ' LEU . 3.2 m-85 -84.72 -24.78 28.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.481 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 31.0 mtpt -50.2 -19.59 0.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.475 HG13 ' N ' ' A' ' 98' ' ' HIS . 46.8 pt -112.87 -36.15 2.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.123 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.475 ' N ' HG13 ' A' ' 97' ' ' ILE . 56.8 m170 -87.99 134.91 33.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.702 ' CD2' HG23 ' A' ' 104' ' ' THR . 29.5 m-85 -85.25 114.09 22.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.547 HD23 ' CE1' ' A' ' 95' ' ' TYR . 13.6 mt -48.43 -71.04 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -121.33 -64.86 1.19 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.503 HG22 ' CG ' ' A' ' 61' ' ' GLU . 7.3 t -126.8 -5.17 6.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.401 HG23 ' N ' ' A' ' 104' ' ' THR . 1.2 t -151.52 -178.74 6.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.162 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.702 HG23 ' CD2' ' A' ' 99' ' ' TYR . 45.1 p -120.18 178.09 4.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.435 HD21 HD11 ' A' ' 100' ' ' LEU . 82.6 mt -86.99 101.78 13.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 18.8 mm -73.86 -71.59 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.117 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -150.57 152.33 32.39 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.669 0.747 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' A' ' 43' ' ' PHE . 53.4 Cg_endo -69.8 137.73 36.01 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.26 . . . . 0.0 112.338 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.589 ' HB1' ' HD2' ' A' ' 110' ' ' PRO . . . -51.04 160.86 0.77 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.629 0.728 . . . . 0.0 111.087 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.589 ' HD2' ' HB1' ' A' ' 109' ' ' ALA . 53.5 Cg_endo -69.77 163.1 39.55 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.427 ' NH1' ' HB3' ' A' ' 111' ' ' ARG . 6.1 mmm180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -165.47 136.22 3.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.892 0.377 . . . . 0.0 110.836 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.7 p -156.4 175.69 13.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.822 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.17 135.36 1.86 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.517 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.8 t -169.77 135.99 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.339 . . . . 0.0 110.841 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.7 m -153.5 149.92 28.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.18 159.44 7.95 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.6 ttm -101.89 89.01 3.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.329 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.3 p -91.64 166.18 12.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.833 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 12' ' ' ARG . 83.2 p -60.52 -175.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 10' ' ' SER . . . -35.43 94.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.086 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 10' ' ' SER . 3.8 tmt_? -127.41 99.28 5.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.401 ' CG ' ' HD3' ' A' ' 108' ' ' PRO . 29.9 p90 -165.5 172.6 11.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -106.17 92.4 4.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.495 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 82.4 p -54.99 -21.51 12.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 88.7 p -79.08 -41.89 27.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.589 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 14.7 t70 -64.6 95.16 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.835 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.597 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 22.1 mtm180 -58.33 -39.15 78.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 t -66.53 -3.91 7.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.403 ' HB2' ' OD1' ' A' ' 17' ' ' ASP . . . -101.73 -27.9 12.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.597 ' CZ2' ' HG3' ' A' ' 18' ' ' ARG . 31.2 p-90 -127.57 -46.49 1.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.944 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.511 ' N ' ' O ' ' A' ' 18' ' ' ARG . 26.1 t80 -65.92 101.5 0.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.963 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.776 ' HG3' HD13 ' A' ' 44' ' ' LEU . 4.2 mmt -79.39 -5.74 55.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.506 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 29.07 -91.84 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.499 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.507 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.8 Cg_endo -69.79 78.83 0.99 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.638 2.225 . . . . 0.0 112.343 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.758 HG21 ' HB3' ' A' ' 23' ' ' MET . 20.3 t -152.03 140.55 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.167 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 70.7 m -93.7 160.81 14.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -57.35 -53.76 54.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -49.11 -31.68 8.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.578 ' O ' HG22 ' A' ' 33' ' ' THR . 24.3 tt0 -78.88 -69.92 0.54 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.488 ' HB2' ' HD3' ' A' ' 46' ' ' ARG . . . -35.42 -36.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 36' ' ' GLN . 11.3 mt-30 -70.51 -46.66 63.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.961 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.578 HG22 ' O ' ' A' ' 30' ' ' GLU . 1.2 t -61.32 -23.31 65.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.172 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -83.18 -32.66 26.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.453 HD21 ' HB2' ' A' ' 109' ' ' ALA . 13.6 mt -106.25 5.39 29.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 32' ' ' GLN . 2.7 tp60 -82.83 116.53 22.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.22 -3.33 72.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.509 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -72.88 166.96 21.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.855 0.36 . . . . 0.0 110.869 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.41 HH11 ' HE1' ' A' ' 42' ' ' MET . 0.0 OUTLIER -64.62 158.63 23.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 63.1 m170 -75.63 120.19 20.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 135.81 -21.98 3.51 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.474 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.41 ' HE1' HH11 ' A' ' 39' ' ' ARG . 26.9 ttm -66.18 152.19 45.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.83 0.348 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.527 ' HB2' HD21 ' A' ' 57' ' ' LEU . 9.3 p90 -159.2 171.23 20.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.776 HD13 ' HG3' ' A' ' 23' ' ' MET . 4.2 pp -174.05 150.11 1.55 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' A' ' 23' ' ' MET . 21.8 t -120.28 119.86 61.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.488 ' HD3' ' HB2' ' A' ' 31' ' ' ALA . 13.8 ptt85 -125.66 173.17 9.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -71.16 120.77 17.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.1 t -62.94 136.85 58.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 m -93.2 -45.36 7.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.856 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.3 p -42.83 -52.09 5.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.176 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 51.8 m -138.07 141.43 32.22 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.6 0.714 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 138.57 38.19 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.677 2.251 . . . . 0.0 112.351 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.9 -53.24 1.08 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -62.65 158.45 18.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.819 0.342 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -117.97 167.41 11.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 87.4 t -134.99 108.25 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.177 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.713 ' HB2' HD11 ' A' ' 70' ' ' ILE . 3.4 tt -87.71 99.23 11.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.5 m -81.4 118.7 22.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.65 HG23 ' CD2' ' A' ' 57' ' ' LEU . 1.3 t -116.79 156.67 17.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.476 ' N ' ' CG1' ' A' ' 59' ' ' VAL . 12.5 t -106.73 105.84 16.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.852 ' CG ' HG22 ' A' ' 102' ' ' THR . 1.7 tm-20 -154.94 145.49 22.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.499 ' ND2' ' OE2' ' A' ' 61' ' ' GLU . 75.3 m-20 62.52 51.45 3.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.7 p 43.59 30.67 0.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -155.41 166.14 34.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.9 t -92.23 106.7 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.534 ' HB3' ' CZ ' ' A' ' 68' ' ' TYR . 8.6 m -79.21 93.84 5.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -70.76 105.68 3.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.774 ' CE2' HD13 ' A' ' 100' ' ' LEU . 28.2 m-85 -99.24 93.62 6.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 69.8 mt -62.51 142.53 16.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.098 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.713 HD11 ' HB2' ' A' ' 57' ' ' LEU . 4.1 mp -117.55 113.83 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.093 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -75.31 134.43 41.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.7 t -88.5 121.28 30.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 24.4 mt -93.68 147.97 34.55 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.611 0.72 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -19.88 35.54 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.673 2.249 . . . . 0.0 112.369 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -84.68 28.84 0.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 56.01 46.52 21.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 66.0 mtp180 -144.63 155.72 43.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.459 ' CE2' ' CD2' ' A' ' 88' ' ' LEU . 96.0 m-85 -103.08 150.55 23.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -132.8 102.65 5.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.0 tt -87.28 104.42 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.33 -101.52 0.83 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.495 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -118.94 17.38 13.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.745 0.307 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -122.43 163.8 19.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -139.77 152.35 46.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.569 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 97.1 m-85 -141.64 -177.03 4.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -83.91 -28.98 27.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 1.005 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 3.3 p80 -175.62 -175.51 0.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.823 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.488 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 3.4 mm? -56.91 -60.31 9.88 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.606 0.717 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.6 Cg_endo -69.71 9.1 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.654 2.236 . . . . 0.0 112.353 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 1.005 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -106.05 -22.82 12.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.569 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.0 pp -97.83 -40.87 8.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.413 ' N ' HD12 ' A' ' 91' ' ' LEU . 11.0 mt -60.77 -35.85 77.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -72.3 -24.95 61.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.525 ' CE2' ' CE1' ' A' ' 98' ' ' HIS . 44.1 t80 -83.44 -28.63 28.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.503 ' CE1' HD23 ' A' ' 100' ' ' LEU . 11.1 m-85 -79.94 -18.82 49.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.93 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -53.06 -17.27 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.452 HG13 ' N ' ' A' ' 98' ' ' HIS . 45.9 pt -114.24 -33.83 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.525 ' CE1' ' CE2' ' A' ' 94' ' ' PHE . 57.7 m170 -85.01 155.89 21.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.526 ' CD2' HG23 ' A' ' 104' ' ' THR . 3.2 m-85 -108.51 120.32 42.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.774 HD13 ' CE2' ' A' ' 68' ' ' TYR . 6.7 mt -62.57 -72.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.941 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.03 -69.24 0.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.852 HG22 ' CG ' ' A' ' 61' ' ' GLU . 1.3 t -130.77 3.17 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.156 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 14.2 t -156.08 174.02 15.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.526 HG23 ' CD2' ' A' ' 99' ' ' TYR . 12.1 p -113.3 176.64 4.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 78.5 mt -83.93 112.36 20.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 23.1 mm -91.68 -70.65 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -144.46 148.64 41.24 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.568 0.699 . . . . 0.0 110.913 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.401 ' HD3' ' CG ' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.81 134.78 28.71 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.672 2.248 . . . . 0.0 112.328 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.453 ' HB2' HD21 ' A' ' 35' ' ' LEU . . . -41.73 153.94 0.26 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.659 0.743 . . . . 0.0 111.062 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 150.72 68.4 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.658 2.238 . . . . 0.0 112.319 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.958 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -127.81 89.35 2.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 110.872 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.3 t -139.97 140.79 36.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.01 -102.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.4 t -105.02 116.72 32.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.888 0.375 . . . . 0.0 110.911 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.0 p -39.12 -46.01 1.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.59 -149.47 20.59 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 82.4 mmm -132.19 101.03 5.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.758 0.313 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.4 p -169.73 170.64 7.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.7 m -122.48 -55.24 1.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.19 87.75 3.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.119 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -119.97 91.99 3.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -141.86 168.22 20.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -98.86 90.14 4.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.495 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 62.6 p -52.4 -27.86 17.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.87 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 82.8 p -75.85 -41.04 53.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.791 ' OD2' ' HB2' ' A' ' 20' ' ' ALA . 17.0 t70 -64.52 92.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.591 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 19.6 mtm180 -62.74 -34.86 78.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.4 t -70.23 1.16 5.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.791 ' HB2' ' OD2' ' A' ' 17' ' ' ASP . . . -109.01 -26.8 10.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.595 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 58.3 p-90 -128.65 -43.83 1.38 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.518 ' HH ' ' HE1' ' A' ' 55' ' ' TYR . 27.8 t80 -66.64 113.62 4.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.747 ' HB3' HG21 ' A' ' 26' ' ' VAL . 6.5 mmt -94.54 -4.9 47.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.517 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 28.05 -91.2 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.436 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.521 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.9 Cg_endo -69.74 79.04 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.664 2.242 . . . . 0.0 112.365 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.747 HG21 ' HB3' ' A' ' 23' ' ' MET . 12.7 t -151.56 129.66 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.8 m -77.89 157.67 29.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 28' ' ' ARG . 15.3 ttp-105 -57.57 -52.84 63.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -51.4 -34.36 34.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.883 ' O ' HG22 ' A' ' 33' ' ' THR . 10.1 tt0 -71.4 -65.01 0.81 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.625 ' HB1' HD21 ' A' ' 44' ' ' LEU . . . -40.35 -33.42 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.516 ' HA ' HG21 ' A' ' 65' ' ' VAL . 10.7 mt-30 -66.9 -47.91 70.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.883 HG22 ' O ' ' A' ' 30' ' ' GLU . 11.0 t -62.2 -24.85 67.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -80.98 -31.49 34.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.457 ' CD2' ' HG2' ' A' ' 42' ' ' MET . 25.0 mt -111.03 11.36 22.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 32' ' ' GLN . 0.7 OUTLIER -87.56 113.08 22.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.87 -26.69 4.12 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.486 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -48.37 163.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.338 . . . . 0.0 110.919 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.55 151.24 8.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.457 ' CG ' ' OE1' ' A' ' 61' ' ' GLU . 40.3 m170 -68.8 126.4 29.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 127.24 -38.1 2.22 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.47 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.457 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 30.8 ttm -41.63 154.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.835 0.35 . . . . 0.0 110.847 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -160.65 169.25 23.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.753 ' C ' HD12 ' A' ' 44' ' ' LEU . 1.0 OUTLIER -170.3 146.35 2.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.44 HG22 HD23 ' A' ' 57' ' ' LEU . 20.9 t -120.3 110.26 28.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.408 ' NH1' ' O ' ' A' ' 26' ' ' VAL . 13.6 ptt85 -112.55 -178.4 3.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -86.71 116.52 24.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.427 ' HB2' HG23 ' A' ' 56' ' ' VAL . 8.2 t -58.82 154.04 15.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.5 t -114.85 -49.15 2.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 41.6 p -60.87 -50.81 71.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.153 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 73.7 m -87.95 140.29 31.02 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.61 0.719 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 53' ' ' GLY . 53.8 Cg_endo -69.8 139.01 39.02 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.632 2.222 . . . . 0.0 112.351 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 52' ' ' PRO . . . 33.68 46.15 0.4 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.469 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.421 ' O ' ' CB ' ' A' ' 48' ' ' SER . 20.4 m-20 -123.21 160.08 27.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 110.86 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.518 ' HE1' ' HH ' ' A' ' 22' ' ' TYR . 23.3 m-85 -112.45 166.81 10.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.427 HG23 ' HB2' ' A' ' 48' ' ' SER . 96.5 t -140.38 106.98 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.825 HD13 ' O ' ' A' ' 57' ' ' LEU . 1.5 tm? -87.2 105.29 17.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 65.4 m -97.35 149.8 21.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.647 HG22 ' HB2' ' A' ' 66' ' ' SER . 1.4 m -144.16 158.34 15.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.4 t -99.17 104.81 16.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.822 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.457 ' OE1' ' CG ' ' A' ' 40' ' ' HIS . 12.1 tp10 -157.78 161.03 38.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 39.0 m-20 56.33 29.79 15.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.932 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.6 m 62.5 25.01 14.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -152.48 -175.37 5.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.516 HG21 ' HA ' ' A' ' 32' ' ' GLN . 39.6 t -110.76 112.06 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.647 ' HB2' HG22 ' A' ' 59' ' ' VAL . 24.8 m -83.82 101.27 11.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -82.38 100.14 9.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -97.26 103.6 15.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.962 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 99.0 mt -69.61 141.09 17.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.126 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.426 ' CG2' ' HB3' ' A' ' 78' ' ' PHE . 4.5 mp -112.82 113.34 43.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.175 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -76.7 130.78 38.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.9 t -81.75 119.81 24.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.661 HD21 ' HB2' ' A' ' 79' ' ' LYS . 22.8 mt -89.38 149.95 43.7 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.619 0.723 . . . . 0.0 110.893 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -23.8 30.51 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.725 2.283 . . . . 0.0 112.32 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -83.03 43.32 0.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 76' ' ' ARG . 5.2 mmm180 43.96 43.5 5.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 43.5 mtt85 -141.24 163.57 32.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.426 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 25.9 m-85 -112.22 153.54 26.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.661 ' HB2' HD21 ' A' ' 73' ' ' LEU . 47.3 tttt -132.71 103.37 6.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.4 tt -94.67 103.14 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.101 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 76.39 -109.13 2.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.48 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -117.86 24.89 10.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.749 0.309 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 51.2 mm-40 -131.46 170.43 14.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -142.03 147.28 36.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.576 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 96.7 m-85 -138.03 170.32 16.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.861 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.31 -33.12 75.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 1.02 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 3.2 p80 -173.31 -175.0 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.834 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.499 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 9.0 mt -57.54 -60.05 11.04 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.645 0.736 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.7 Cg_endo -69.71 11.13 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.709 2.273 . . . . 0.0 112.362 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 1.02 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -110.2 -21.64 12.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.576 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.4 pp -91.31 -40.79 11.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.447 ' N ' HD12 ' A' ' 91' ' ' LEU . 16.3 mt -59.56 -33.29 71.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -74.4 -24.94 59.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.483 ' CE2' ' CE1' ' A' ' 98' ' ' HIS . 9.6 t80 -83.01 -26.83 30.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -78.47 -22.45 47.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -51.09 -18.22 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 45.4 pt -117.66 -33.75 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.483 ' CE1' ' CE2' ' A' ' 94' ' ' PHE . 60.7 m170 -88.35 137.54 32.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.614 ' CD2' HG23 ' A' ' 104' ' ' THR . 2.2 m-85 -91.51 115.98 28.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.963 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.565 ' H ' HD12 ' A' ' 100' ' ' LEU . 3.4 mp -53.74 -69.6 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -114.27 -69.08 0.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.5 t -130.12 -1.34 4.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.142 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.4 t -150.19 177.29 10.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.614 HG23 ' CD2' ' A' ' 99' ' ' TYR . 77.2 p -118.91 -179.2 3.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.5 mt -88.01 119.41 28.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 21.0 mm -94.06 -67.74 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -149.14 145.09 18.79 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.613 0.72 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 138.58 38.16 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.68 2.253 . . . . 0.0 112.387 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.482 ' HB1' ' HD2' ' A' ' 110' ' ' PRO . . . -57.21 157.4 12.2 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.57 0.7 . . . . 0.0 111.109 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.482 ' HD2' ' HB1' ' A' ' 109' ' ' ALA . 53.8 Cg_endo -69.72 147.23 62.63 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.669 2.246 . . . . 0.0 112.395 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.9 m -104.68 163.05 12.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.899 0.381 . . . . 0.0 110.859 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.1 m -124.87 171.63 10.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.823 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.8 91.29 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.471 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.9 p -132.61 149.44 52.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.863 0.363 . . . . 0.0 110.838 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 m -154.6 147.62 24.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.63 119.58 1.0 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.483 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.3 ttt -107.34 -59.57 1.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.831 0.348 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.6 m -83.41 123.18 29.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.2 m -55.59 -54.27 46.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.95 99.92 3.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.059 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -128.8 90.27 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.578 ' CZ ' ' HE3' ' A' ' 96' ' ' LYS . 54.0 p90 -155.4 148.67 24.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -80.13 97.72 6.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.496 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 9.4 t -61.62 -18.1 58.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.4 t -78.08 -35.52 49.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.595 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 35.5 t0 -68.72 95.67 0.68 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.585 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 13.4 mtm180 -63.59 -37.68 88.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.3 t -67.68 -2.54 7.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -103.99 -28.43 11.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.061 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.595 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 55.7 p-90 -128.15 -44.46 1.43 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.51 ' N ' ' O ' ' A' ' 18' ' ' ARG . 8.3 t80 -62.53 102.65 0.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.95 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.726 ' HB3' HG21 ' A' ' 26' ' ' VAL . 4.6 mmt -81.68 -9.32 59.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.504 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 28.68 -91.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.482 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.513 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.3 Cg_endo -69.83 78.73 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.636 2.224 . . . . 0.0 112.328 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.726 HG21 ' HB3' ' A' ' 23' ' ' MET . 5.3 t -149.83 146.03 17.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.4 m -98.01 145.86 26.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.1 ttt-85 -47.47 -52.17 18.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -48.26 -32.66 7.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 32' ' ' GLN . 11.9 tt0 -76.03 -68.76 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.433 ' CB ' ' HD3' ' A' ' 46' ' ' ARG . . . -36.9 -28.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.077 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' A' ' 30' ' ' GLU . 8.3 mt-30 -71.5 -53.02 15.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.2 t -62.21 -21.05 64.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.173 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -79.59 -33.77 41.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.6 mt -109.75 3.95 21.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' GLN . 4.1 tp60 -80.49 106.73 12.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.86 8.86 75.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -85.97 163.0 18.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.818 0.342 . . . . 0.0 110.897 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.37 149.51 24.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 39.0 m170 -68.08 117.55 10.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 138.59 -27.27 2.73 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.42 ' HG2' ' HB2' ' A' ' 109' ' ' ALA . 24.9 ttm -58.22 153.87 14.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.476 ' HB2' HD21 ' A' ' 57' ' ' LEU . 6.3 p90 -160.93 171.18 19.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.483 ' O ' HD12 ' A' ' 44' ' ' LEU . 4.6 pp -174.64 146.24 0.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.2 t -115.96 113.22 42.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.527 HH12 HG11 ' A' ' 56' ' ' VAL . 0.2 OUTLIER -114.43 174.6 5.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.919 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.31 119.51 20.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 22.9 t -50.94 146.33 6.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.3 m -109.71 -50.5 2.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.69 -2.8 12.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 45.7 m -146.78 127.21 6.94 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.599 0.714 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 117.67 5.23 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.676 2.251 . . . . 0.0 112.318 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.44 -51.72 2.09 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.507 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.469 ' O ' ' CB ' ' A' ' 48' ' ' SER . 1.8 m-20 -43.83 166.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -122.92 167.85 13.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.527 HG11 HH12 ' A' ' 46' ' ' ARG . 61.5 t -137.4 113.08 11.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.159 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.745 ' HB2' HD11 ' A' ' 70' ' ' ILE . 3.0 tt -92.84 94.27 8.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.972 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.4 m -77.38 116.81 18.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.647 HG23 ' CD2' ' A' ' 57' ' ' LEU . 1.0 OUTLIER -116.33 151.51 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.11 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.8 t -97.31 118.39 33.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.665 ' CG ' HG22 ' A' ' 102' ' ' THR . 7.2 tp10 -166.32 143.02 5.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 59.21 50.82 7.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.3 t 42.52 32.19 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.1 ptt-85 -146.99 176.4 9.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.408 HG21 ' HA ' ' A' ' 32' ' ' GLN . 6.5 t -103.83 98.2 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 68' ' ' TYR . 20.1 m -73.72 90.89 1.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 -75.42 108.01 7.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.594 ' HB3' HD11 ' A' ' 80' ' ' ILE . 32.6 m-85 -100.0 95.28 6.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.984 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 69.1 mt -61.27 144.9 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.745 HD11 ' HB2' ' A' ' 57' ' ' LEU . 5.2 mp -114.58 119.55 61.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.15 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -82.08 122.13 27.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.4 t -81.57 107.55 14.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.829 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 55.8 mt -79.83 143.94 59.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.58 0.705 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -13.41 34.7 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 41.8 p-10 -85.31 27.98 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 60.41 37.15 20.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -143.01 167.25 22.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.418 ' CD1' ' N ' ' A' ' 78' ' ' PHE . 4.0 m-85 -113.25 166.71 11.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -148.98 105.49 3.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.594 HD11 ' HB3' ' A' ' 68' ' ' TYR . 4.7 tt -91.07 105.34 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.18 -105.72 2.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.523 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -119.18 15.39 13.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.761 0.315 . . . . 0.0 110.852 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -121.07 157.7 29.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -127.05 149.25 50.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.602 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 95.8 m-85 -138.83 171.92 13.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -71.72 -30.37 65.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 1.01 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 3.0 p80 -175.5 -175.01 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.498 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 8.8 mt -57.09 -59.83 11.48 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.644 0.735 . . . . 0.0 110.964 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.8 Cg_endo -69.76 10.48 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.651 2.234 . . . . 0.0 112.341 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 1.01 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -110.15 -19.16 13.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.081 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.602 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.2 pp -93.96 -40.73 9.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 28.5 mt -62.35 -44.41 96.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 94' ' ' PHE . 6.9 pt-20 -62.17 -27.95 69.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.411 ' N ' ' HG3' ' A' ' 93' ' ' GLU . 27.4 t80 -80.29 -34.95 36.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.673 ' CE1' HD23 ' A' ' 100' ' ' LEU . 26.5 m-85 -77.03 -9.0 58.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.578 ' HE3' ' CZ ' ' A' ' 13' ' ' PHE . 56.7 mttt -58.71 -21.29 54.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.889 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.493 HG13 ' CD2' ' A' ' 98' ' ' HIS . 38.7 pt -113.12 -35.79 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.493 ' CD2' HG13 ' A' ' 97' ' ' ILE . 45.9 m170 -90.08 132.0 35.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.724 ' CD2' HG23 ' A' ' 104' ' ' THR . 6.4 m-85 -82.0 114.9 20.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.952 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.673 HD23 ' CE1' ' A' ' 95' ' ' TYR . 6.6 mt -46.63 -70.2 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -111.12 -64.59 1.26 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.665 HG22 ' CG ' ' A' ' 61' ' ' GLU . 2.8 t -133.82 -0.29 3.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.6 t -151.24 171.28 17.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.724 HG23 ' CD2' ' A' ' 99' ' ' TYR . 2.0 p -107.21 -179.8 4.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.407 HD21 HD11 ' A' ' 100' ' ' LEU . 97.7 mt -92.61 106.61 18.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 22.7 mm -78.87 -67.19 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -155.54 151.91 23.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.659 0.742 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.404 ' HA ' ' O ' ' A' ' 43' ' ' PHE . 54.1 Cg_endo -69.71 143.89 52.53 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.42 ' HB2' ' HG2' ' A' ' 42' ' ' MET . . . -65.14 150.05 96.02 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.582 0.706 . . . . 0.0 111.098 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 147.54 63.76 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.383 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.409 ' CD ' ' H ' ' A' ' 111' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.837 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.7 p -168.88 138.85 2.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.861 0.363 . . . . 0.0 110.857 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.9 t -138.0 159.19 42.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.49 88.73 1.43 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.1 p -49.44 166.57 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.874 0.369 . . . . 0.0 110.873 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 7' ' ' GLY . 45.9 t -97.54 -61.96 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 37.53 -105.82 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.496 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.17 -47.6 9.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.76 0.314 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.9 t -48.69 164.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.831 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 52.3 p -95.18 -178.99 4.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.813 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -41.14 99.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.7 mmm-85 -131.78 94.27 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -156.97 -176.49 6.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -113.55 89.21 3.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.492 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 58.6 m -56.49 -24.87 49.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.816 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 m -74.81 -38.76 62.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.596 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 16.5 t70 -72.8 110.45 7.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.584 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 5.7 mtm-85 -70.14 -36.01 74.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.3 t -66.31 -3.57 6.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -101.67 -28.64 12.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.121 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.596 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 49.4 p-90 -128.96 -44.97 1.28 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.943 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.518 ' N ' ' CE3' ' A' ' 21' ' ' TRP . 7.8 t80 -54.17 122.05 9.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.698 ' HG3' HD13 ' A' ' 44' ' ' LEU . 7.9 mmt -103.23 -4.08 24.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.51 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 29.01 -91.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.512 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.8 Cg_endo -69.81 78.99 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.697 HG21 ' HB3' ' A' ' 23' ' ' MET . 39.3 t -156.93 135.98 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.0 m -97.52 174.8 6.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -62.94 -47.17 84.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -55.58 -35.89 66.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.946 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.832 ' O ' HG22 ' A' ' 33' ' ' THR . 15.0 tt0 -75.31 -65.16 0.92 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.83 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.772 ' HB2' ' HD3' ' A' ' 46' ' ' ARG . . . -39.99 -29.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.075 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.5 ' O ' ' N ' ' A' ' 36' ' ' GLN . 8.4 mt-30 -71.16 -49.69 41.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.832 HG22 ' O ' ' A' ' 30' ' ' GLU . 12.0 t -59.13 -24.89 63.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.417 ' HB3' ' NH1' ' A' ' 34' ' ' ARG . 1.5 mtp-105 -81.13 -33.54 33.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.469 ' HB2' HG22 ' A' ' 65' ' ' VAL . 24.2 mt -108.32 9.39 27.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 32' ' ' GLN . 2.5 tp60 -88.62 106.27 18.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.16 -9.96 76.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.494 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -68.83 162.71 25.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 -61.06 145.29 51.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 38.1 m170 -58.09 139.22 55.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 42' ' ' MET . . . 116.16 -47.62 1.02 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.462 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 41' ' ' GLY . 31.3 ttm -37.05 152.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.337 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.617 ' HB2' HG12 ' A' ' 59' ' ' VAL . 9.9 p90 -157.24 168.57 27.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.698 HD13 ' HG3' ' A' ' 23' ' ' MET . 3.2 pp -169.93 142.83 2.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.6 t -117.45 108.71 25.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.772 ' HD3' ' HB2' ' A' ' 31' ' ' ALA . 13.0 ptt85 -110.94 163.87 13.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -67.22 118.16 10.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.6 t -50.93 159.23 0.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.4 t -110.85 -40.86 4.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.2 p -43.29 -36.37 1.81 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.2 m -165.46 147.31 6.33 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.553 0.692 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 119.49 6.43 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.704 2.269 . . . . 0.0 112.33 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 126.9 -53.67 0.79 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.477 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -64.97 157.1 29.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.853 0.358 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -119.1 171.49 8.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 86.8 t -145.5 111.16 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.766 ' C ' HD13 ' A' ' 57' ' ' LEU . 1.4 tm? -92.41 112.75 24.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.955 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.428 ' HB3' ' CG1' ' A' ' 65' ' ' VAL . 17.6 m -107.23 141.08 39.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.617 HG12 ' HB2' ' A' ' 43' ' ' PHE . 12.3 m -137.1 163.88 31.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.125 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.3 t -92.97 98.2 11.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.944 ' CD ' HG22 ' A' ' 102' ' ' THR . 16.4 tt0 -148.6 152.87 37.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 57.1 53.28 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.4 t 41.75 30.51 0.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.1 ptt180 -159.49 -175.66 5.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.469 HG22 ' HB2' ' A' ' 35' ' ' LEU . 49.2 t -105.68 105.44 18.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.44 ' HB3' ' CZ ' ' A' ' 68' ' ' TYR . 15.5 m -73.44 99.98 3.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -80.41 104.51 11.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.852 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.44 ' CZ ' ' HB3' ' A' ' 66' ' ' SER . 27.3 m-85 -102.64 109.05 20.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 87.4 mt -74.33 145.05 11.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.115 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.5 mp -116.1 113.16 42.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -75.24 132.73 41.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.3 t -90.96 120.27 31.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.5 mt -91.13 151.66 43.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.589 0.709 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -21.23 33.68 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.656 2.237 . . . . 0.0 112.319 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -84.94 44.32 1.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 62.3 mtt-85 41.93 45.53 3.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 22.3 mtt85 -145.07 151.27 38.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -102.06 165.98 10.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -145.62 109.26 4.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.528 HG23 ' O ' ' A' ' 80' ' ' ILE . 7.9 tt -97.99 99.11 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.47 -103.83 2.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.448 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -119.9 21.52 11.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.801 0.334 . . . . 0.0 110.856 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -131.99 167.12 20.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -138.42 158.56 44.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.604 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 93.9 m-85 -146.3 170.09 17.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.61 -35.91 81.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 1.048 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 3.8 p80 -167.88 -175.77 2.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.508 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 9.3 mt -58.52 -59.67 12.8 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.601 0.715 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.9 Cg_endo -69.76 12.57 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.651 2.234 . . . . 0.0 112.352 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 1.048 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -110.45 -24.13 10.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.604 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.5 pp -88.71 -41.57 12.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.433 ' N ' HD12 ' A' ' 91' ' ' LEU . 7.1 mt -56.29 -40.61 74.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.954 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.485 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 6.0 mt-10 -66.15 -27.38 67.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -80.96 -19.29 44.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.555 ' CE1' HD23 ' A' ' 100' ' ' LEU . 6.4 m-85 -92.0 -23.53 19.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.907 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.485 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 16.9 mtpt -48.51 -20.41 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.897 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 48.7 pt -114.28 -30.91 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.14 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.436 ' O ' HG22 ' A' ' 104' ' ' THR . 58.7 m170 -88.47 149.95 23.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.596 ' CD2' HG23 ' A' ' 104' ' ' THR . 19.0 m-85 -99.8 113.75 26.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.555 HD23 ' CE1' ' A' ' 95' ' ' TYR . 7.7 mt -54.18 -65.78 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.951 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.42 ' CB ' ' OE2' ' A' ' 61' ' ' GLU . 6.2 m-20 -118.89 -63.91 1.34 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.944 HG22 ' CD ' ' A' ' 61' ' ' GLU . 7.6 t -134.51 -0.61 2.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 10.5 t -150.56 179.12 8.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.15 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.596 HG23 ' CD2' ' A' ' 99' ' ' TYR . 60.7 p -116.15 -175.4 2.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.415 HD12 ' HB2' ' A' ' 95' ' ' TYR . 91.5 mt -95.87 104.37 16.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 14.4 mm -81.41 -72.31 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -149.99 146.91 21.05 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.638 0.732 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 152.34 69.35 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.694 2.262 . . . . 0.0 112.354 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.55 149.32 95.54 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.575 0.702 . . . . 0.0 111.042 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 147.69 63.42 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.339 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 2.7 mtp-105 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 t -154.89 163.36 40.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.865 0.364 . . . . 0.0 110.846 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.3 m -136.66 166.73 22.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.812 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.63 101.59 0.39 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.49 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -97.37 116.65 29.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.895 0.379 . . . . 0.0 110.854 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -81.81 159.7 23.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.04 71.36 0.44 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.445 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 49.8 ttp -62.37 -63.41 1.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.828 0.346 . . . . 0.0 110.862 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -97.82 131.4 44.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.8 m -48.77 -51.83 27.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.829 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.93 89.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.107 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -128.46 93.42 3.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -157.32 146.06 19.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.822 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -77.35 105.79 8.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.473 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 36.6 p -64.86 -24.78 67.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 m -77.69 -31.59 52.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.878 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.472 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 11.6 t0 -69.1 96.56 0.81 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.584 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 6.0 mtm-85 -64.14 -38.27 90.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.497 ' O ' ' NE ' ' A' ' 111' ' ' ARG . 3.3 t -65.69 -4.32 6.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.08 -32.69 10.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.097 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.584 ' CZ2' ' HG3' ' A' ' 18' ' ' ARG . 54.3 p-90 -123.54 -45.17 2.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.541 ' N ' ' CE3' ' A' ' 21' ' ' TRP . 5.5 t80 -55.24 132.02 46.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.713 ' HB3' HG21 ' A' ' 26' ' ' VAL . 13.4 mmt -119.69 -9.95 9.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.49 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 30.83 -91.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.45 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.518 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.7 Cg_endo -69.73 79.4 0.94 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.645 2.23 . . . . 0.0 112.327 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.713 HG21 ' HB3' ' A' ' 23' ' ' MET . 46.3 t -155.4 131.19 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 61.5 p -85.08 160.41 19.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.416 ' HB2' ' NH2' ' A' ' 46' ' ' ARG . 45.5 ttm-85 -57.82 -54.23 49.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -46.08 -40.73 11.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.726 ' O ' HG22 ' A' ' 33' ' ' THR . 12.6 tt0 -67.04 -66.31 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.482 ' HB1' HD11 ' A' ' 44' ' ' LEU . . . -42.31 -33.33 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 36' ' ' GLN . 23.9 mt-30 -71.41 -44.33 65.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.726 HG22 ' O ' ' A' ' 30' ' ' GLU . 1.4 t -62.47 -22.38 66.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.688 HH21 HD22 ' A' ' 44' ' ' LEU . 6.3 mtm180 -85.16 -33.05 22.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.8 mt -105.63 5.39 31.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 32' ' ' GLN . 0.6 OUTLIER -82.86 107.78 15.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.887 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.52 14.56 79.83 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.526 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.403 ' CG ' ' O ' ' A' ' 34' ' ' ARG . 12.7 mm100 -90.73 173.51 7.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.347 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -65.25 128.95 37.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 58.1 m170 -51.74 127.2 20.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 129.84 -35.24 2.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.458 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.637 ' HG2' ' HB2' ' A' ' 109' ' ' ALA . 21.4 ttm -51.71 148.55 5.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.748 0.309 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.697 ' HB2' HD21 ' A' ' 57' ' ' LEU . 6.5 p90 -154.29 165.62 35.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.834 ' O ' HD12 ' A' ' 44' ' ' LEU . 3.4 pp -170.94 132.13 0.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.2 t -100.77 126.76 54.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.479 HH12 HG11 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -131.56 157.09 44.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -62.52 125.12 22.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.4 t -51.5 -178.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.7 t -127.11 -57.07 1.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.827 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.0 p -104.64 28.92 6.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.7 m -130.57 136.27 28.69 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.612 0.72 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.464 ' O ' ' C ' ' A' ' 53' ' ' GLY . 53.9 Cg_endo -69.74 124.75 11.4 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.714 2.276 . . . . 0.0 112.365 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 52' ' ' PRO . . . 33.08 53.47 0.53 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.499 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -123.41 178.02 5.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -134.98 171.17 14.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.479 HG11 HH12 ' A' ' 46' ' ' ARG . 94.6 t -139.91 117.83 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.174 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.758 ' CD2' HG23 ' A' ' 59' ' ' VAL . 5.3 tt -96.95 95.74 8.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.7 m -78.1 111.62 14.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.758 HG23 ' CD2' ' A' ' 57' ' ' LEU . 1.0 OUTLIER -112.76 151.27 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.103 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 t -97.36 97.42 9.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.84 ' CD ' HG22 ' A' ' 102' ' ' THR . 8.9 tt0 -144.15 145.85 32.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.836 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 60.53 53.88 3.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 m 40.77 33.14 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -154.68 176.84 11.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.1 t -98.78 98.26 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.484 ' HB3' ' CZ ' ' A' ' 68' ' ' TYR . 14.1 m -74.75 91.21 2.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -73.15 107.49 5.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.709 ' CE2' HD13 ' A' ' 100' ' ' LEU . 36.7 m-85 -98.8 94.97 6.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 77.9 mt -62.39 142.28 16.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.148 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.633 HD11 ' HB2' ' A' ' 57' ' ' LEU . 5.3 mp -116.16 109.11 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -69.27 142.92 54.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.9 t -96.17 105.45 17.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.432 HD12 ' HB3' ' A' ' 77' ' ' ARG . 52.5 mt -71.68 146.54 91.16 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.668 0.746 . . . . 0.0 110.887 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -22.9 31.53 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.69 2.26 . . . . 0.0 112.337 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.516 ' H ' ' ND2' ' A' ' 75' ' ' ASN . 1.6 p30 -86.39 46.49 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 44.77 48.2 8.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.468 ' CD ' ' O ' ' A' ' 75' ' ' ASN . 6.6 mpt_? -145.99 169.95 17.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -119.57 159.37 24.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -142.24 112.21 6.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.596 HG21 ' HE2' ' A' ' 95' ' ' TYR . 4.0 tt -96.71 100.17 10.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.7 -104.62 2.1 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.04 20.32 12.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.781 0.324 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -129.11 157.95 40.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -131.25 153.45 49.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.59 ' CD2' ' HB2' ' A' ' 91' ' ' LEU . 98.1 m-85 -141.38 174.99 10.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.06 -30.76 68.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 1.014 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 2.8 p80 -175.72 -174.99 0.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.5 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 8.8 mt -56.62 -60.0 10.6 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.623 0.725 . . . . 0.0 110.925 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.5 Cg_endo -69.76 9.31 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.68 2.253 . . . . 0.0 112.322 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 1.014 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -109.21 -19.81 13.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.073 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.59 ' HB2' ' CD2' ' A' ' 85' ' ' PHE . 3.0 pp -92.13 -40.5 11.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.2 mt -61.37 -39.23 89.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.425 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 7.1 pt-20 -66.67 -24.96 66.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -88.44 -14.33 38.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.596 ' HE2' HG21 ' A' ' 80' ' ' ILE . 3.0 m-85 -94.78 -20.55 19.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.425 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 30.3 mtpt -55.19 -21.18 12.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.453 HG13 ' N ' ' A' ' 98' ' ' HIS . 39.0 pt -110.4 -33.36 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.453 ' N ' HG13 ' A' ' 97' ' ' ILE . 62.4 m170 -88.22 143.49 27.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.78 ' CD2' HG23 ' A' ' 104' ' ' THR . 7.2 m-85 -93.3 114.65 27.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.709 HD13 ' CE2' ' A' ' 68' ' ' TYR . 7.5 mt -49.84 -72.46 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -117.52 -65.28 1.2 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.84 HG22 ' CD ' ' A' ' 61' ' ' GLU . 7.0 t -127.37 -3.63 6.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.128 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.3 t -148.68 -175.61 5.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.78 HG23 ' CD2' ' A' ' 99' ' ' TYR . 80.9 p -124.41 179.08 5.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 96.7 mt -87.06 105.78 17.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 19.1 mm -80.49 -72.35 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.113 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -149.63 148.59 26.21 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.607 0.718 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 134.92 28.98 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.651 2.234 . . . . 0.0 112.328 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.637 ' HB2' ' HG2' ' A' ' 42' ' ' MET . . . -57.04 154.78 18.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.594 0.711 . . . . 0.0 111.102 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.403 ' HD2' ' HB1' ' A' ' 109' ' ' ALA . 53.8 Cg_endo -69.8 152.79 69.18 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.497 ' NE ' ' O ' ' A' ' 19' ' ' SER . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.249 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 m -115.71 150.15 37.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.908 0.385 . . . . 0.0 110.831 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.0 p -175.01 161.53 2.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.69 142.82 13.75 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.4 t -94.14 139.31 31.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.876 0.369 . . . . 0.0 110.828 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.3 p -87.84 137.51 32.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -44.77 160.06 0.13 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.477 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -113.53 -45.25 3.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.342 . . . . 0.0 110.84 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.1 m -135.51 173.99 11.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.811 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.4 t -75.24 172.45 12.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.844 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 57.99 41.05 24.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -95.19 100.13 11.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -160.55 176.11 11.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.08 133.67 43.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.418 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 88.5 p -95.99 -36.75 10.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.2 t -76.31 -37.29 57.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.599 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 27.1 t0 -64.49 91.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.597 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 5.2 mtm105 -63.08 -37.33 86.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.3 t -66.8 -3.14 6.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -102.67 -28.63 12.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.075 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 41.4 p-90 -127.46 -45.52 1.5 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.51 ' N ' ' O ' ' A' ' 18' ' ' ARG . 23.3 t80 -61.55 110.91 1.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.721 ' HB3' HG21 ' A' ' 26' ' ' VAL . 5.4 mmt -90.59 -3.4 57.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.938 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.503 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 28.65 -91.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.516 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.7 Cg_endo -69.79 78.88 0.99 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.33 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.721 HG21 ' HB3' ' A' ' 23' ' ' MET . 32.4 t -155.79 135.46 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.2 p -96.48 160.91 14.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -52.79 -54.16 38.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -44.47 -44.27 8.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.844 ' O ' HG22 ' A' ' 33' ' ' THR . 18.2 tt0 -70.93 -63.72 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.448 ' HB2' ' HD3' ' A' ' 46' ' ' ARG . . . -36.86 -39.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.552 ' HA ' HG21 ' A' ' 65' ' ' VAL . 13.1 mt-30 -61.22 -52.13 66.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.844 HG22 ' O ' ' A' ' 30' ' ' GLU . 6.2 t -60.08 -23.25 63.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.101 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -80.28 -30.38 38.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.551 ' CD2' ' HB2' ' A' ' 109' ' ' ALA . 13.7 mt -116.19 14.21 15.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 32' ' ' GLN . 4.3 tp60 -87.98 108.45 19.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.71 -28.09 9.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.461 ' HB3' ' HE3' ' A' ' 42' ' ' MET . 14.1 mm-40 -50.34 162.44 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.784 0.326 . . . . 0.0 110.927 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.63 158.07 4.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 44.4 m170 -71.99 126.84 30.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 128.57 -40.07 1.78 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.461 ' HE3' ' HB3' ' A' ' 38' ' ' GLN . 28.3 ttm -42.43 149.91 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.329 . . . . 0.0 110.868 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 108' ' ' PRO . 17.3 p90 -156.17 174.21 15.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.598 HD13 ' HG3' ' A' ' 23' ' ' MET . 3.6 pp -174.72 146.37 0.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.742 HG11 HD11 ' A' ' 88' ' ' LEU . 17.0 t -119.01 107.0 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.53 ' HD2' HG12 ' A' ' 26' ' ' VAL . 18.6 ptt-85 -108.57 172.4 6.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -78.03 120.87 23.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.434 ' HB2' HG23 ' A' ' 56' ' ' VAL . 46.5 t -59.1 117.03 4.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.9 t -76.32 -46.61 26.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.82 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -46.02 -47.29 16.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.101 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 87.6 m -142.6 136.62 14.65 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.601 0.715 . . . . 0.0 110.848 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 163.95 36.35 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.7 2.267 . . . . 0.0 112.315 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 76.91 -45.09 2.17 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.467 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.89 160.25 30.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.34 . . . . 0.0 110.847 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -122.89 172.62 8.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.434 HG23 ' HB2' ' A' ' 48' ' ' SER . 65.4 t -140.92 105.87 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.155 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.793 ' C ' HD13 ' A' ' 57' ' ' LEU . 1.5 tm? -90.71 113.34 25.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.6 m -103.26 154.46 19.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.513 HG22 ' HB2' ' A' ' 66' ' ' SER . 1.4 m -150.59 154.32 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.7 t -90.81 90.98 8.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.841 ' CD ' HG22 ' A' ' 102' ' ' THR . 22.4 tt0 -138.86 151.36 46.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.849 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.455 ' N ' ' HG2' ' A' ' 61' ' ' GLU . 27.3 m-80 58.96 39.81 23.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.862 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.5 t 54.34 28.41 9.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -153.21 179.65 8.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.552 HG21 ' HA ' ' A' ' 32' ' ' GLN . 47.6 t -105.83 98.81 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.513 ' HB2' HG22 ' A' ' 59' ' ' VAL . 3.8 m -70.51 104.8 2.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -84.13 101.27 11.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -97.76 107.79 20.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 88.2 mt -75.15 135.85 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.112 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.43 ' CG2' ' HB3' ' A' ' 78' ' ' PHE . 3.9 mp -102.9 103.44 15.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.164 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -66.35 131.72 46.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.3 t -84.7 116.56 23.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.583 HD21 ' HB2' ' A' ' 79' ' ' LYS . 28.8 mt -84.39 151.59 59.55 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.621 0.724 . . . . 0.0 110.945 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -20.62 34.7 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.257 . . . . 0.0 112.333 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -89.92 42.06 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 44.21 51.44 7.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.411 ' HB3' HD12 ' A' ' 73' ' ' LEU . 73.3 mtt180 -143.71 161.77 37.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.566 ' CE2' ' CD2' ' A' ' 88' ' ' LEU . 33.2 m-85 -106.43 157.78 17.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.837 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.583 ' HB2' HD21 ' A' ' 73' ' ' LEU . 11.3 tttp -142.28 105.95 4.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.529 HG23 ' O ' ' A' ' 80' ' ' ILE . 7.2 tt -96.9 101.59 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.69 -107.98 2.53 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.492 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -117.01 28.42 8.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.74 0.305 . . . . 0.0 110.842 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -136.88 162.59 32.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -135.26 145.73 47.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.603 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 98.9 m-85 -132.84 -176.4 4.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -87.79 -29.16 21.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 1.01 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 3.0 p80 -175.72 -174.94 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.742 HD11 HG11 ' A' ' 45' ' ' VAL . 3.5 mm? -56.71 -60.29 9.79 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.611 0.719 . . . . 0.0 110.873 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.7 Cg_endo -69.8 9.87 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.685 2.256 . . . . 0.0 112.34 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 1.01 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -108.78 -21.32 12.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.603 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.6 pp -98.55 -42.49 7.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.569 ' N ' HD12 ' A' ' 91' ' ' LEU . 28.4 mt -58.05 -36.19 72.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -72.64 -31.99 65.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -74.9 -22.17 58.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -82.3 -28.46 31.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -47.75 -19.85 0.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 46.0 pt -113.18 -31.07 2.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.114 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.416 ' O ' HG22 ' A' ' 104' ' ' THR . 64.9 m170 -96.58 137.98 34.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.78 ' CD2' HG23 ' A' ' 104' ' ' THR . 7.5 m-85 -90.59 116.6 28.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.7 mp -49.42 -68.3 0.19 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -120.91 -65.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.841 HG22 ' CD ' ' A' ' 61' ' ' GLU . 12.9 t -129.49 -6.3 4.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 9.0 t -146.42 174.32 11.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.78 HG23 ' CD2' ' A' ' 99' ' ' TYR . 32.5 p -114.93 176.53 5.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 87.3 mt -83.57 117.15 22.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 44.4 mm -93.48 -69.03 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.92 150.7 26.59 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.658 0.742 . . . . 0.0 110.865 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' A' ' 43' ' ' PHE . 53.7 Cg_endo -69.74 133.94 26.82 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.729 2.286 . . . . 0.0 112.336 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.551 ' HB2' ' CD2' ' A' ' 35' ' ' LEU . . . -43.77 151.18 0.51 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.575 0.702 . . . . 0.0 111.114 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 153.69 68.85 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.686 2.257 . . . . 0.0 112.364 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 43.9 mmm-85 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -106.6 -51.61 2.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.908 0.385 . . . . 0.0 110.876 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 t -42.97 104.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.45 -144.8 6.28 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.528 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t -99.79 118.22 35.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.854 0.359 . . . . 0.0 110.879 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 t -119.13 41.71 3.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.3 81.84 0.16 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.9 tpp -80.38 -53.66 6.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.787 0.327 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.6 t -73.85 150.46 40.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 77.7 p -89.09 166.64 13.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 62.54 46.08 5.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.065 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -108.96 84.16 1.88 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -141.46 174.99 10.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -101.72 116.68 33.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.489 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 8.1 p -79.15 -31.27 43.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.3 m -72.01 -39.4 69.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.582 ' OD2' ' HB2' ' A' ' 20' ' ' ALA . 25.9 t70 -65.58 99.86 0.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.591 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 12.8 mtt85 -68.23 -35.9 78.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.3 t -66.03 -4.44 7.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.582 ' HB2' ' OD2' ' A' ' 17' ' ' ASP . . . -99.69 -33.8 10.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.077 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.591 ' CZ2' ' HG3' ' A' ' 18' ' ' ARG . 55.1 p-90 -121.77 -45.18 2.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.509 ' N ' ' O ' ' A' ' 18' ' ' ARG . 8.0 t80 -61.31 110.46 1.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.671 ' HB3' HG21 ' A' ' 26' ' ' VAL . 6.4 mmt -90.73 -3.2 57.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.509 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 29.2 -91.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.484 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.508 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.5 Cg_endo -69.79 78.84 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.646 2.231 . . . . 0.0 112.356 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.671 HG21 ' HB3' ' A' ' 23' ' ' MET . 41.0 t -157.61 128.23 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.1 p -87.72 178.41 6.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.447 ' NE ' ' OE1' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -69.82 -44.29 70.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 -179.881 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -57.1 -32.22 66.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.904 ' O ' HG22 ' A' ' 33' ' ' THR . 17.3 tt0 -80.52 -67.8 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.453 ' HB2' ' HD3' ' A' ' 46' ' ' ARG . . . -34.31 -40.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.516 ' HA ' HG11 ' A' ' 65' ' ' VAL . 11.6 mt-30 -60.19 -53.33 58.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.904 HG22 ' O ' ' A' ' 30' ' ' GLU . 10.4 t -56.84 -24.84 54.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -79.05 -31.8 44.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.492 HD21 HD23 ' A' ' 44' ' ' LEU . 6.3 mt -114.01 14.27 18.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 32' ' ' GLN . 0.8 OUTLIER -84.91 108.05 17.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.44 -0.36 85.11 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.464 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -71.09 170.55 12.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.85 0.357 . . . . 0.0 110.856 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 39' ' ' ARG . 1.0 OUTLIER -57.99 145.95 34.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 47.0 m170 -69.43 119.73 14.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 131.91 -26.34 3.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.461 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 29.8 ttm -53.96 149.64 8.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.583 ' HB2' HD21 ' A' ' 57' ' ' LEU . 15.3 p90 -155.27 165.49 36.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.544 ' C ' HD12 ' A' ' 44' ' ' LEU . 4.4 pp -168.8 152.72 5.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 40.5 t -123.14 117.26 51.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.51 ' HD2' HG12 ' A' ' 26' ' ' VAL . 6.7 ptt85 -119.83 177.07 5.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -77.65 117.39 19.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.7 t -65.33 115.73 5.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 t -75.48 -44.03 46.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.796 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 51' ' ' CYS . 0.3 OUTLIER -44.26 -51.32 8.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.412 ' H ' HG23 ' A' ' 50' ' ' THR . 93.8 m -129.09 142.51 45.42 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.631 0.729 . . . . 0.0 110.864 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 140.01 41.64 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.71 2.273 . . . . 0.0 112.296 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.74 -46.39 3.46 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.508 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -56.93 161.4 2.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.827 0.346 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -131.5 165.9 22.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.8 t -138.49 110.77 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.103 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.705 HD21 HG23 ' A' ' 59' ' ' VAL . 5.7 tt -83.38 108.51 16.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.4 m -86.39 118.54 25.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.705 HG23 HD21 ' A' ' 57' ' ' LEU . 1.1 t -122.68 145.31 29.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.1 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.3 t -92.38 108.69 20.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.861 ' CD ' HG22 ' A' ' 102' ' ' THR . 19.8 tt0 -153.44 150.71 29.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 58.86 47.31 12.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 72.3 m 45.87 37.23 3.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.97 176.64 12.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.839 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.516 HG11 ' HA ' ' A' ' 32' ' ' GLN . 38.9 t -104.93 97.06 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 59' ' ' VAL . 18.6 m -69.87 148.55 48.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -124.4 91.74 3.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.645 ' CE2' HD13 ' A' ' 100' ' ' LEU . 38.8 m-85 -85.34 99.63 11.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 96.2 mt -67.52 142.92 15.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.518 HD11 ' HB2' ' A' ' 57' ' ' LEU . 4.0 mp -118.48 108.53 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -67.02 144.07 56.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.7 t -102.89 105.48 15.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.886 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.456 HD11 ' HB2' ' A' ' 79' ' ' LYS . 19.8 mt -79.58 142.84 58.09 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.628 0.728 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -1.92 9.28 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.656 2.237 . . . . 0.0 112.365 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -100.79 46.76 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? 42.18 43.49 2.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -147.93 160.5 42.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -113.47 157.3 22.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.456 ' HB2' HD11 ' A' ' 73' ' ' LEU . 28.4 tttt -138.23 105.38 5.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.405 HD11 ' HB3' ' A' ' 68' ' ' TYR . 2.3 tt -88.82 101.25 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 76.12 -103.79 1.74 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.527 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -119.62 18.05 12.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.765 0.317 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 -125.46 156.46 38.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -127.63 151.66 48.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.593 ' CD2' ' HB2' ' A' ' 91' ' ' LEU . 98.4 m-85 -141.32 167.16 22.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -64.13 -32.21 73.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 1.01 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 2.9 p80 -175.98 -174.99 0.69 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.497 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 8.7 mt -56.55 -60.11 10.2 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.623 0.725 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 54.0 Cg_endo -69.76 10.01 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.632 2.222 . . . . 0.0 112.378 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 1.01 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -110.04 -21.43 12.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.081 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.593 ' HB2' ' CD2' ' A' ' 85' ' ' PHE . 3.1 pp -89.51 -40.9 12.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.464 HD22 ' CE2' ' A' ' 43' ' ' PHE . 18.8 mt -60.77 -34.87 75.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.467 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 5.5 pt-20 -70.35 -24.63 63.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -85.92 -22.87 27.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.502 ' CE1' HD23 ' A' ' 100' ' ' LEU . 9.2 m-85 -84.31 -21.74 30.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.467 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 18.6 mtpt -53.91 -20.58 6.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.454 HG13 ' N ' ' A' ' 98' ' ' HIS . 41.0 pt -111.24 -34.08 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.454 ' N ' HG13 ' A' ' 97' ' ' ILE . 51.4 m170 -90.26 134.75 34.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.761 ' CD2' HG23 ' A' ' 104' ' ' THR . 27.3 m-85 -86.5 114.42 23.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.645 HD13 ' CE2' ' A' ' 68' ' ' TYR . 11.1 mt -49.03 -74.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -114.62 -62.88 1.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.861 HG22 ' CD ' ' A' ' 61' ' ' GLU . 2.5 t -133.21 -1.23 3.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.2 t -150.37 179.42 8.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.761 HG23 ' CD2' ' A' ' 99' ' ' TYR . 38.5 p -120.45 177.72 4.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 86.4 mt -85.87 103.88 15.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.5 mm -80.99 -71.97 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -145.71 146.1 27.95 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.621 0.724 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 133.55 25.68 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.686 2.257 . . . . 0.0 112.323 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -39.56 153.27 0.19 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.557 0.694 . . . . 0.0 111.104 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 148.1 64.26 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.683 2.255 . . . . 0.0 112.353 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.5 t -147.67 114.34 6.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.841 0.353 . . . . 0.0 110.895 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.7 p -138.83 169.73 17.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.826 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.52 118.93 0.48 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.4 p -147.21 105.84 3.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.905 0.383 . . . . 0.0 110.832 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -81.27 -46.53 14.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.48 -156.73 38.45 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.49 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -158.13 128.28 6.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.772 0.32 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.8 p -144.35 166.95 23.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.6 m -54.66 -174.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.883 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -38.58 101.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.062 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -128.57 108.04 10.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -171.88 172.97 4.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -105.14 87.13 2.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.501 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 36.4 m -47.85 -24.61 1.04 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.1 p -80.49 -39.05 28.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.849 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.602 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 7.8 t70 -64.05 94.94 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.593 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 5.5 mtm105 -62.72 -32.24 73.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.407 ' O ' ' NE ' ' A' ' 111' ' ' ARG . 33.0 t -73.67 6.65 2.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -116.72 -25.63 7.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.144 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.602 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 52.8 p-90 -130.41 -41.42 1.22 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.48 ' HB2' ' CZ3' ' A' ' 21' ' ' TRP . 9.2 t80 -69.95 100.75 1.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.641 ' O ' ' C ' ' A' ' 24' ' ' GLY . 4.5 mmt -88.93 8.68 28.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.641 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 10.05 -84.14 0.0 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.515 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.524 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.7 Cg_endo -69.73 76.57 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 2.229 . . . . 0.0 112.369 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.485 HG12 ' CB ' ' A' ' 46' ' ' ARG . 0.3 OUTLIER -145.92 138.49 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.7 m -81.87 142.45 32.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.3 ttt85 -48.35 -52.28 22.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -52.62 -31.5 36.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 32' ' ' GLN . 5.7 tt0 -72.85 -70.63 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.463 ' HB1' HD11 ' A' ' 44' ' ' LEU . . . -36.61 -28.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.521 ' HA ' HG21 ' A' ' 65' ' ' VAL . 4.2 mt-30 -74.28 -52.44 12.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.434 HG22 ' O ' ' A' ' 30' ' ' GLU . 1.5 t -61.55 -23.77 66.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -80.15 -27.27 39.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.473 HD13 ' C ' ' A' ' 58' ' ' SER . 13.8 mt -112.78 9.43 19.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -86.89 111.81 21.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.65 -26.55 5.8 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.462 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -48.98 160.16 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.78 152.08 4.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 60.2 m170 -71.4 114.22 9.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.811 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 140.63 -27.24 2.49 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.442 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 32.4 ttm -58.52 146.98 33.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.74 0.305 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.472 ' CB ' HD22 ' A' ' 105' ' ' LEU . 3.8 p90 -156.34 171.99 19.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.868 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.493 HD13 ' HG3' ' A' ' 23' ' ' MET . 4.2 pp -174.38 145.85 1.02 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.6 t -107.62 118.77 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.719 HH12 HG11 ' A' ' 56' ' ' VAL . 1.5 ptm180 -117.48 175.7 5.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -85.99 127.45 34.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t -66.67 128.47 36.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.0 m -84.27 -41.68 16.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.906 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 72.3 p -41.35 -53.01 3.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.0 m -145.66 142.9 18.56 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.622 0.725 . . . . 0.0 110.821 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 122.25 8.93 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.712 2.275 . . . . 0.0 112.348 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 126.51 -55.21 0.74 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -67.69 161.16 26.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.873 0.368 . . . . 0.0 110.816 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -125.53 163.87 21.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.719 HG11 HH12 ' A' ' 46' ' ' ARG . 37.7 t -130.19 118.35 43.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.147 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.847 HD11 HG23 ' A' ' 59' ' ' VAL . 2.5 tm? -92.18 101.24 13.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.473 ' C ' HD13 ' A' ' 35' ' ' LEU . 4.6 m -83.6 121.47 27.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.847 HG23 HD11 ' A' ' 57' ' ' LEU . 1.7 t -125.74 150.65 31.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.133 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.0 t -97.7 106.27 18.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.715 ' CD ' HG22 ' A' ' 102' ' ' THR . 8.1 tt0 -155.6 142.08 18.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 61.8 53.22 3.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.0 m 41.65 33.52 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -153.81 178.02 10.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.521 HG21 ' HA ' ' A' ' 32' ' ' GLN . 38.8 t -103.4 99.8 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 59' ' ' VAL . 37.4 m -70.1 88.35 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -75.2 104.32 5.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.525 ' HB3' HD11 ' A' ' 80' ' ' ILE . 64.8 m-85 -100.06 96.69 7.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.943 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 98.0 mt -57.33 146.53 6.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.599 HD11 ' HB2' ' A' ' 57' ' ' LEU . 5.4 mp -120.71 107.59 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.141 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -69.94 140.77 53.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.6 t -96.59 107.0 19.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 33.1 mt -76.79 151.26 82.26 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.583 0.706 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -16.85 37.86 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.737 2.291 . . . . 0.0 112.341 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -92.7 41.84 1.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 31.7 mtt85 45.15 44.69 8.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -135.74 163.58 29.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.428 ' CE2' ' HG ' ' A' ' 88' ' ' LEU . 60.6 m-85 -115.4 139.5 49.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.5 tttm -122.94 104.12 9.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.603 HG23 ' O ' ' A' ' 80' ' ' ILE . 11.9 tt -94.04 102.97 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.98 -108.98 2.77 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.502 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -118.08 22.38 12.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.756 0.312 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -129.66 161.02 31.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -132.16 144.2 50.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.578 ' CD2' ' HB2' ' A' ' 91' ' ' LEU . 98.4 m-85 -131.45 175.3 9.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -71.57 -31.39 66.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 1.016 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 2.9 p80 -175.93 -175.05 0.7 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.5 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 8.7 mt -56.64 -60.09 10.33 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.573 0.702 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.0 Cg_endo -69.82 9.7 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.66 2.24 . . . . 0.0 112.29 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 1.016 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -109.31 -23.02 11.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.083 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.578 ' HB2' ' CD2' ' A' ' 85' ' ' PHE . 3.2 pp -89.09 -40.83 12.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.2 mt -61.24 -35.66 77.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.416 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 6.6 pt-20 -70.71 -24.76 62.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.508 ' CE2' ' CE1' ' A' ' 98' ' ' HIS . 22.4 t80 -86.72 -15.93 37.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.416 ' CE1' HD23 ' A' ' 100' ' ' LEU . 3.5 m-85 -91.28 -23.1 20.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.416 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 7.2 mtpm? -52.14 -21.66 3.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.943 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.448 HG13 ' N ' ' A' ' 98' ' ' HIS . 48.0 pt -109.17 -33.1 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.508 ' CE1' ' CE2' ' A' ' 94' ' ' PHE . 63.6 m170 -88.11 139.43 30.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.787 ' HA ' HG22 ' A' ' 104' ' ' THR . 11.3 m-85 -92.95 113.95 26.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.416 HD23 ' CE1' ' A' ' 95' ' ' TYR . 5.7 mt -50.39 -69.2 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.848 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -121.55 -62.15 1.45 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.715 HG22 ' CD ' ' A' ' 61' ' ' GLU . 13.5 t -129.12 -7.34 4.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.152 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 4.1 t -148.78 179.1 8.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.787 HG22 ' HA ' ' A' ' 99' ' ' TYR . 27.1 p -122.49 -179.59 4.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.472 HD22 ' CB ' ' A' ' 43' ' ' PHE . 95.0 mt -86.25 109.42 18.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 25.8 mm -87.86 -71.1 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -146.74 147.87 31.44 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.65 0.738 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 144.8 55.18 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.673 2.249 . . . . 0.0 112.378 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.605 ' HB1' ' HD2' ' A' ' 110' ' ' PRO . . . -47.19 161.17 0.32 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.606 0.717 . . . . 0.0 111.088 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.605 ' HD2' ' HB1' ' A' ' 109' ' ' ALA . 53.8 Cg_endo -69.78 148.49 65.09 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.674 2.249 . . . . 0.0 112.364 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.453 ' CZ ' ' HB3' ' A' ' 111' ' ' ARG . 3.0 mmm180 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 m -88.6 82.34 6.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.857 0.36 . . . . 0.0 110.864 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.6 p -171.59 158.35 5.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.78 149.48 18.51 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.46 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.9 p -133.22 113.11 12.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.879 0.371 . . . . 0.0 110.834 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.1 m -89.8 163.68 14.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.45 62.54 0.53 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.9 mmt -88.91 -56.15 3.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.792 0.33 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.8 t -71.66 135.87 47.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 55.2 p -93.47 148.21 22.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.804 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 58.74 52.21 6.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.112 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -106.58 96.88 6.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -150.22 166.31 30.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -85.89 103.94 15.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.43 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 14.0 p -67.55 -32.17 72.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.5 p -76.92 -38.81 52.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.78 ' OD2' ' HB2' ' A' ' 20' ' ' ALA . 25.1 t70 -60.4 92.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.587 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 21.6 mtm180 -64.38 -36.3 83.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.4 t -67.86 -1.2 5.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.78 ' HB2' ' OD2' ' A' ' 17' ' ' ASP . . . -105.12 -27.16 11.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.069 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.587 ' CZ2' ' HG3' ' A' ' 18' ' ' ARG . 55.1 p-90 -129.26 -44.74 1.25 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.494 ' N ' ' O ' ' A' ' 18' ' ' ARG . 12.3 t80 -61.31 106.69 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.957 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.886 ' HG3' HD13 ' A' ' 44' ' ' LEU . 5.0 mmt -84.62 -4.19 58.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.508 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 29.0 -91.68 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.498 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.503 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.9 Cg_endo -69.77 78.97 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.631 2.221 . . . . 0.0 112.392 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.73 HG21 ' HB3' ' A' ' 23' ' ' MET . 25.1 t -154.35 142.08 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 65.4 m -105.84 151.71 24.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -41.94 -48.51 4.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -50.52 -48.63 57.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.73 ' O ' HG22 ' A' ' 33' ' ' THR . 13.7 tt0 -65.51 -66.65 0.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 30' ' ' GLU . . . -33.58 -37.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.083 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 36' ' ' GLN . 5.3 mt-30 -63.83 -53.46 50.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.941 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.73 HG22 ' O ' ' A' ' 30' ' ' GLU . 6.4 t -60.37 -25.79 66.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -78.61 -28.0 45.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.53 ' CD2' ' HB2' ' A' ' 109' ' ' ALA . 21.6 mt -117.66 13.96 14.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 32' ' ' GLN . 0.4 OUTLIER -85.08 117.67 24.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.917 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.84 17.09 74.97 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -88.8 173.1 8.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.903 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.1 ptm85 -62.83 144.01 57.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.816 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 56.3 m170 -64.67 124.85 22.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.83 -30.38 4.64 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.489 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.5 ttm -52.72 138.37 29.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.541 ' CD2' HD22 ' A' ' 105' ' ' LEU . 3.2 p90 -143.52 169.9 16.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.886 HD13 ' HG3' ' A' ' 23' ' ' MET . 3.2 pp -168.81 143.67 3.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.484 HG22 HD23 ' A' ' 57' ' ' LEU . 26.0 t -116.05 114.85 47.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.12 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.421 ' NH1' ' O ' ' A' ' 26' ' ' VAL . 16.2 ptt85 -117.74 163.43 16.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -70.52 123.22 21.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.3 t -65.32 134.93 54.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 60.9 p -99.41 -38.05 8.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.861 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 79.1 p -77.71 -52.78 8.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.155 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 98.1 m -85.07 132.72 44.7 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.599 0.714 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 53' ' ' GLY . 53.7 Cg_endo -69.8 146.88 61.26 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.65 2.233 . . . . 0.0 112.34 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 52' ' ' PRO . . . 33.71 41.05 0.15 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.464 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -126.21 177.16 6.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.866 0.365 . . . . 0.0 110.837 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -139.73 161.92 36.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.5 t -131.38 112.65 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.716 HD13 ' O ' ' A' ' 57' ' ' LEU . 2.5 tm? -88.99 100.41 13.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.6 m -84.66 123.76 30.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.512 HG23 HD11 ' A' ' 57' ' ' LEU . 0.9 OUTLIER -124.35 142.25 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.173 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.0 t -89.56 116.47 27.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.577 ' CG ' HG22 ' A' ' 102' ' ' THR . 17.0 tp10 -167.7 154.28 7.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 48.3 m-20 60.54 44.91 11.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.3 m 46.27 32.35 1.48 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.7 ptt-85 -151.44 -177.99 6.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 97.4 t -108.57 100.36 10.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 59' ' ' VAL . 5.0 m -69.19 141.26 54.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -123.06 95.55 4.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.616 ' HB3' HD11 ' A' ' 80' ' ' ILE . 59.4 m-85 -96.76 100.63 12.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 88.5 mt -67.31 142.55 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.133 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.669 HD11 ' HB2' ' A' ' 57' ' ' LEU . 4.7 mp -115.39 105.05 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -64.87 140.62 58.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.7 t -97.95 107.02 19.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.438 ' CB ' ' OD1' ' A' ' 75' ' ' ASN . 53.5 mt -79.41 150.51 73.75 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.618 0.723 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -13.61 34.9 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.265 . . . . 0.0 112.374 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.438 ' OD1' ' CB ' ' A' ' 73' ' ' LEU . 4.1 p30 -94.02 40.97 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? 45.27 38.85 3.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -132.21 150.95 52.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.472 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 57.8 m-85 -105.66 138.98 40.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.413 ' HB2' HD11 ' A' ' 73' ' ' LEU . 31.8 tttt -123.91 104.9 9.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.616 HD11 ' HB3' ' A' ' 68' ' ' TYR . 7.7 tt -97.57 104.08 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.21 -109.72 2.86 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -117.06 27.74 8.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.764 0.316 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -134.09 162.3 32.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -138.62 139.7 38.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.653 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 93.2 m-85 -129.05 174.36 9.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -69.51 -36.39 76.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.857 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 2.6 p80 -170.7 -175.02 1.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.489 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 8.7 mt -56.05 -60.46 8.79 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.604 0.716 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.5 Cg_endo -69.76 15.23 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.722 2.282 . . . . 0.0 112.332 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.857 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -114.15 -24.22 9.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.653 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.6 pp -87.76 -41.83 13.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.424 ' N ' HD12 ' A' ' 91' ' ' LEU . 24.2 mt -56.9 -35.84 69.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -72.63 -33.15 66.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -75.92 -23.78 55.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -80.22 -18.86 48.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -53.13 -21.33 4.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.461 HG13 ' N ' ' A' ' 98' ' ' HIS . 46.2 pt -111.72 -33.81 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.131 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.461 ' N ' HG13 ' A' ' 97' ' ' ILE . 50.3 m170 -90.98 128.92 37.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.653 ' CD2' HG23 ' A' ' 104' ' ' THR . 21.9 m-85 -85.05 113.78 21.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.457 HD22 ' CE2' ' A' ' 68' ' ' TYR . 3.1 mp -44.49 -62.63 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -127.67 -64.78 0.96 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.577 HG22 ' CG ' ' A' ' 61' ' ' GLU . 13.6 t -130.8 -5.39 4.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.449 ' CG2' ' OE1' ' A' ' 61' ' ' GLU . 6.0 t -147.24 170.71 16.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.653 HG23 ' CD2' ' A' ' 99' ' ' TYR . 3.1 p -112.8 178.15 4.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.161 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.541 HD22 ' CD2' ' A' ' 43' ' ' PHE . 83.2 mt -81.76 123.2 28.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 31.6 mm -100.64 -65.92 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -155.66 150.65 20.75 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.678 0.751 . . . . 0.0 110.827 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 139.47 40.39 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.673 2.249 . . . . 0.0 112.36 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.645 ' HB1' ' HD2' ' A' ' 110' ' ' PRO . . . -56.06 162.73 2.68 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.607 0.718 . . . . 0.0 111.076 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.645 ' HD2' ' HB1' ' A' ' 109' ' ' ALA . 53.7 Cg_endo -69.77 148.76 65.72 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.679 2.252 . . . . 0.0 112.355 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.842 -179.953 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.6 p -93.75 146.01 24.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.879 0.371 . . . . 0.0 110.908 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.4 p -107.7 -54.57 2.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.71 96.24 0.1 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.8 p -168.58 128.17 1.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.832 0.348 . . . . 0.0 110.835 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.6 p -122.59 175.49 6.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.87 -170.81 21.11 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.437 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.6 139.07 50.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.772 0.32 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.3 p -99.63 123.26 43.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.866 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 64.8 m -149.87 142.91 24.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.459 ' HB1' ' HG2' ' A' ' 96' ' ' LYS . . . 59.36 48.45 10.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.118 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.2 tpp180 -102.4 94.27 5.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.589 ' CE1' ' HE2' ' A' ' 96' ' ' LYS . 26.3 p90 -153.22 164.76 37.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -93.43 93.46 8.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.417 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 4.9 m -59.05 -18.36 34.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.4 m -84.3 -38.91 19.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.824 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.65 ' OD2' ' HB2' ' A' ' 20' ' ' ALA . 44.3 t0 -62.6 91.83 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.582 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 12.1 mtp180 -61.42 -35.63 78.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 t -71.67 5.08 2.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.65 ' HB2' ' OD2' ' A' ' 17' ' ' ASP . . . -115.48 -25.59 7.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.601 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 61.5 p-90 -130.16 -42.15 1.23 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.938 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.565 ' HB2' ' CZ3' ' A' ' 21' ' ' TRP . 22.5 t80 -69.0 104.42 2.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.794 ' HG3' HD13 ' A' ' 44' ' ' LEU . 4.7 mmt -86.37 -6.4 58.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.524 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 27.54 -90.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.422 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.531 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.6 Cg_endo -69.84 79.22 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.311 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.75 HG21 ' HB3' ' A' ' 23' ' ' MET . 9.7 t -150.77 125.54 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.1 t -75.98 151.88 37.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.4 ttt85 -52.36 -49.29 64.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -55.05 -32.66 62.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 32' ' ' GLN . 13.4 tt0 -75.49 -69.15 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.535 ' HB1' HD21 ' A' ' 44' ' ' LEU . . . -37.08 -30.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 30' ' ' GLU . 4.9 mt-30 -69.57 -50.38 45.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 30' ' ' GLU . 1.0 OUTLIER -64.79 -21.09 66.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -77.39 -29.24 53.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.826 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.406 ' CD2' ' HG2' ' A' ' 42' ' ' MET . 12.4 mt -116.1 5.18 13.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -80.79 113.81 19.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.82 -27.73 7.81 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -52.82 164.63 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.857 0.36 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.41 151.53 23.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.412 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 39.8 m170 -67.09 125.47 26.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 131.35 -40.55 1.62 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.47 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.406 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 29.0 ttm -45.43 146.92 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.818 0.342 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.458 ' HB2' HG12 ' A' ' 59' ' ' VAL . 10.5 p90 -150.21 173.92 13.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.794 HD13 ' HG3' ' A' ' 23' ' ' MET . 1.2 pp -173.88 146.06 1.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.5 t -118.67 113.12 40.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.5 ptt85 -117.38 176.15 5.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -79.8 127.74 32.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.463 ' CB ' ' HB3' ' A' ' 54' ' ' ASP . 46.1 t -57.06 175.77 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.797 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.5 m -127.11 -57.35 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.2 p -76.45 -9.91 59.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.166 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 72.3 m -118.74 134.83 23.51 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.569 0.699 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 53' ' ' GLY . 54.2 Cg_endo -69.78 137.8 36.25 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.657 2.238 . . . . 0.0 112.366 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 52' ' ' PRO . . . 37.07 39.63 0.45 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.463 ' HB3' ' CB ' ' A' ' 48' ' ' SER . 1.6 t70 -110.5 173.68 6.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.867 0.365 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -135.06 162.59 32.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.453 ' CG1' ' HB3' ' A' ' 67' ' ' HIS . 96.5 t -139.86 106.67 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.7 tp -76.37 104.31 6.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.445 ' HB3' ' CG1' ' A' ' 65' ' ' VAL . 51.0 m -94.77 127.04 40.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.617 HG22 ' HB2' ' A' ' 66' ' ' SER . 1.6 m -130.2 155.83 41.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.155 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.3 t -93.88 116.72 29.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.517 ' CG ' ' CG2' ' A' ' 102' ' ' THR . 7.9 tp10 -168.47 145.5 3.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 63.28 32.07 15.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.8 t 60.55 27.48 17.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.37 -179.07 6.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.445 ' CG1' ' HB3' ' A' ' 58' ' ' SER . 48.7 t -113.9 104.21 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.108 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.617 ' HB2' HG22 ' A' ' 59' ' ' VAL . 38.9 m -73.95 110.98 8.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.453 ' HB3' ' CG1' ' A' ' 56' ' ' VAL . 94.7 m-70 -92.08 97.99 11.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.673 ' O ' HD12 ' A' ' 70' ' ' ILE . 61.4 m-85 -91.47 100.16 12.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 67.6 mt -63.57 129.85 27.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.126 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.673 HD12 ' O ' ' A' ' 68' ' ' TYR . 3.9 mp -107.32 109.66 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 79' ' ' LYS . 30.4 m120 -76.61 129.28 36.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.7 t -90.69 106.15 18.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.518 ' HB2' ' ND2' ' A' ' 75' ' ' ASN . 21.0 mt -73.15 144.84 85.2 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.573 0.701 . . . . 0.0 110.936 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -2.13 9.64 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.718 2.278 . . . . 0.0 112.32 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.518 ' ND2' ' HB2' ' A' ' 73' ' ' LEU . 0.6 OUTLIER -98.1 44.24 1.04 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.401 ' HD2' ' C ' ' A' ' 75' ' ' ASN . 1.3 mpt_? 49.77 31.39 4.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 73' ' ' LEU . 6.8 mpt_? -144.1 163.22 34.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -111.48 -178.23 3.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 71' ' ' ASN . 13.0 tttp -158.83 105.23 1.78 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.478 HD13 ' HE2' ' A' ' 95' ' ' TYR . 1.9 tt -87.99 100.62 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.179 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.34 -99.94 0.93 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.497 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -121.65 24.83 9.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.757 0.313 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -129.33 157.61 41.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -129.48 151.97 49.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.59 ' CD2' ' HB3' ' A' ' 91' ' ' LEU . 97.9 m-85 -147.31 163.02 37.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.65 -33.62 68.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.587 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 2.1 p80 -176.04 -174.98 0.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.521 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 9.3 mt -55.28 -58.99 12.27 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 54.5 Cg_endo -69.71 21.65 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.674 2.25 . . . . 0.0 112.382 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.587 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -119.67 -33.88 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.59 ' HB3' ' CD2' ' A' ' 85' ' ' PHE . 3.9 pp -77.65 -43.11 32.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.501 ' N ' HD12 ' A' ' 91' ' ' LEU . 13.7 mt -58.59 -44.81 89.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -62.05 -34.76 76.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.591 ' CE2' ' CE1' ' A' ' 98' ' ' HIS . 42.2 t80 -73.55 -28.06 61.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.633 ' CE1' HD23 ' A' ' 100' ' ' LEU . 3.2 m-85 -76.51 -14.76 60.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.589 ' HE2' ' CE1' ' A' ' 13' ' ' PHE . 69.3 mttt -54.55 -20.28 7.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.463 HG13 ' N ' ' A' ' 98' ' ' HIS . 43.4 pt -114.99 -34.0 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.181 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.591 ' CE1' ' CE2' ' A' ' 94' ' ' PHE . 61.3 m170 -87.0 128.34 35.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.728 ' CD2' HG23 ' A' ' 104' ' ' THR . 23.0 m-85 -84.09 113.43 21.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.633 HD23 ' CE1' ' A' ' 95' ' ' TYR . 10.4 mt -47.15 -68.45 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -120.78 -66.56 1.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.517 ' CG2' ' CG ' ' A' ' 61' ' ' GLU . 14.1 t -129.02 -7.05 4.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.1 t -145.3 170.73 15.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.197 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.728 HG23 ' CD2' ' A' ' 99' ' ' TYR . 7.7 p -111.01 -177.23 3.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.182 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 99.5 mt -90.27 118.26 29.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 28.8 mm -96.47 -68.2 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -152.74 147.79 19.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.611 0.719 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 137.23 34.99 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.654 2.236 . . . . 0.0 112.35 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.4 ' HB2' ' CD2' ' A' ' 35' ' ' LEU . . . -45.95 151.43 0.88 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.591 0.71 . . . . 0.0 111.101 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 148.08 64.16 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.719 2.279 . . . . 0.0 112.353 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.969 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -122.96 97.15 5.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.88 0.371 . . . . 0.0 110.851 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -149.02 114.91 5.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.46 177.93 16.51 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.468 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.8 p -91.58 40.96 1.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 0.0 110.873 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 m -69.92 -47.3 62.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.844 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.14 -174.86 20.7 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.2 ptp -148.04 140.6 24.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.743 0.306 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.3 m -109.08 161.68 14.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.855 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.451 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 5.7 m -100.86 137.1 39.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 10' ' ' SER . . . 69.31 52.96 0.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.112 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -108.55 92.0 3.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.511 ' CD1' ' O ' ' A' ' 106' ' ' ILE . 53.1 p90 -149.44 168.39 23.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -87.6 128.44 35.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.501 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 18.6 p -94.42 -24.48 17.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.81 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.7 p -81.63 -39.18 24.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.701 ' OD2' ' HB2' ' A' ' 20' ' ' ALA . 32.9 t0 -60.42 91.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.573 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 19.3 mtt180 -59.55 -32.81 70.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.8 t -73.28 3.95 5.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.701 ' HB2' ' OD2' ' A' ' 17' ' ' ASP . . . -113.27 -27.2 8.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.092 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.578 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 46.2 p-90 -128.12 -42.27 1.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.575 ' HB2' ' CZ3' ' A' ' 21' ' ' TRP . 37.4 t80 -75.35 104.76 6.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.637 ' O ' ' C ' ' A' ' 24' ' ' GLY . 3.0 mmt -90.25 12.49 17.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.895 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.637 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 10.91 -83.07 0.0 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.478 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.557 ' N ' ' O ' ' A' ' 23' ' ' MET . 54.4 Cg_endo -69.7 77.11 1.07 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.691 2.261 . . . . 0.0 112.374 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.624 HG21 ' HB3' ' A' ' 23' ' ' MET . 2.5 t -146.56 144.46 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 46.5 m -90.61 152.04 21.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -56.18 -47.93 77.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' A' ' 30' ' ' GLU . 8.2 pt20 -60.85 -32.38 71.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.82 ' O ' HG22 ' A' ' 33' ' ' THR . 11.9 tt0 -69.64 -70.22 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.696 ' HB2' ' HD2' ' A' ' 46' ' ' ARG . . . -35.62 -31.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.069 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.537 ' HA ' HG21 ' A' ' 65' ' ' VAL . 6.8 mt-30 -69.26 -48.23 62.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.82 HG22 ' O ' ' A' ' 30' ' ' GLU . 12.8 t -61.08 -25.46 66.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.443 ' NH1' ' O ' ' A' ' 110' ' ' PRO . 2.0 mtp-105 -80.94 -33.42 34.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.434 HD11 ' HG ' ' A' ' 44' ' ' LEU . 19.1 mt -107.96 8.54 28.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 32' ' ' GLN . 2.9 tp60 -87.37 112.63 22.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.36 -8.26 58.83 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.519 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -67.05 164.14 18.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.823 0.344 . . . . 0.0 110.933 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -56.83 138.06 53.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -57.19 122.4 12.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 132.97 -45.17 1.14 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 35.0 ttm -38.43 152.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -157.75 170.24 22.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.709 ' C ' HD12 ' A' ' 44' ' ' LEU . 2.6 pp -174.59 147.38 1.08 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.42 HG22 HD23 ' A' ' 57' ' ' LEU . 14.4 t -112.39 105.8 19.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.749 ' NH1' HG11 ' A' ' 56' ' ' VAL . 0.4 OUTLIER -105.2 174.39 5.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -68.47 131.12 44.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.454 ' HB3' ' C ' ' A' ' 54' ' ' ASP . 4.9 p -48.24 176.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.8 t -115.0 108.19 16.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.0 p 50.24 36.98 13.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.163 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.4 m -124.2 135.78 26.83 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.61 0.719 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 53' ' ' GLY . 53.7 Cg_endo -69.77 131.7 21.77 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.702 2.268 . . . . 0.0 112.327 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 52' ' ' PRO . . . 32.45 61.16 0.36 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.454 ' C ' ' HB3' ' A' ' 48' ' ' SER . 15.0 m-20 -134.76 176.86 8.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -145.06 177.86 8.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.749 HG11 ' NH1' ' A' ' 46' ' ' ARG . 19.7 t -146.09 117.1 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.155 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.761 HD13 ' O ' ' A' ' 57' ' ' LEU . 2.2 tm? -99.24 100.88 12.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.405 ' HB3' ' CG1' ' A' ' 65' ' ' VAL . 20.1 m -92.91 146.81 23.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.569 HG22 ' HB2' ' A' ' 66' ' ' SER . 1.8 m -142.6 164.58 17.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.9 t -99.5 112.9 25.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.458 ' CG ' HG22 ' A' ' 102' ' ' THR . 5.2 tp10 -169.72 158.96 7.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 51.12 51.91 16.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.8 t 40.01 30.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.2 ptt85 -157.25 -176.53 6.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.537 HG21 ' HA ' ' A' ' 32' ' ' GLN . 16.6 t -109.86 112.33 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.569 ' HB2' HG22 ' A' ' 59' ' ' VAL . 5.8 m -82.4 94.18 7.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -78.43 103.3 8.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.439 ' CE2' HD13 ' A' ' 100' ' ' LEU . 50.6 m-85 -97.77 91.37 5.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.953 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.739 HD13 HG22 ' A' ' 56' ' ' VAL . 2.3 mm -46.76 160.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.143 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.54 HD11 ' CB ' ' A' ' 57' ' ' LEU . 4.9 mp -134.18 93.77 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -69.6 135.13 49.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.3 t -88.5 123.01 32.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 34.4 mt -89.86 151.05 44.93 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.618 0.723 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 2.0 3.91 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -111.01 46.03 1.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 42.02 44.05 2.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -140.72 164.84 29.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.68 ' CE2' ' CD2' ' A' ' 88' ' ' LEU . 43.5 m-85 -114.61 156.35 24.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -131.1 103.37 6.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.53 HG23 ' O ' ' A' ' 80' ' ' ILE . 8.4 tt -92.89 99.19 9.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.46 -104.4 1.67 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.523 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.33 4.99 14.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.735 0.303 . . . . 0.0 110.854 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -116.42 163.27 16.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -136.54 157.54 46.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.609 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 97.7 m-85 -143.77 -175.13 4.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -84.27 -28.17 27.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 1.011 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 3.0 p80 -175.75 -175.01 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.845 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.68 ' CD2' ' CE2' ' A' ' 78' ' ' PHE . 2.8 mm? -57.18 -60.06 10.83 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.566 0.698 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 54.2 Cg_endo -69.74 8.58 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.624 2.216 . . . . 0.0 112.369 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 1.011 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -106.5 -20.51 13.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.609 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.0 pp -99.69 -39.39 8.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.1 mt -62.3 -35.93 80.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.48 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 7.0 pt-20 -74.65 -25.73 59.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.579 ' CE2' ' CE1' ' A' ' 98' ' ' HIS . 32.2 t80 -83.48 -19.58 35.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -89.88 -22.11 22.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.48 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 24.0 mtpt -50.94 -19.01 0.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.443 HG13 ' N ' ' A' ' 98' ' ' HIS . 46.9 pt -114.53 -33.97 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.579 ' CE1' ' CE2' ' A' ' 94' ' ' PHE . 54.9 m170 -83.49 146.44 28.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.733 ' HA ' HG22 ' A' ' 104' ' ' THR . 19.7 m-85 -100.2 114.47 27.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.439 HD13 ' CE2' ' A' ' 68' ' ' TYR . 6.0 mt -55.43 -68.39 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -118.82 -66.86 1.03 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.458 HG22 ' CG ' ' A' ' 61' ' ' GLU . 5.8 t -128.66 -5.3 5.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 t -150.76 175.07 12.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.733 HG22 ' HA ' ' A' ' 99' ' ' TYR . 11.4 p -119.69 -178.05 3.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 48.8 mt -88.12 118.08 27.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.511 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 30.1 mm -93.85 -65.36 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -150.55 145.13 18.07 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.673 0.749 . . . . 0.0 110.849 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.481 ' HD3' ' CD2' ' A' ' 13' ' ' PHE . 53.0 Cg_endo -69.76 136.35 32.77 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.712 2.275 . . . . 0.0 112.311 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -52.4 149.01 11.01 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.594 0.712 . . . . 0.0 111.092 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.443 ' O ' ' NH1' ' A' ' 34' ' ' ARG . 54.2 Cg_endo -69.74 146.92 61.81 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.705 2.27 . . . . 0.0 112.35 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -129.08 146.83 50.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 110.84 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.0 m -156.34 138.98 15.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.99 -175.89 47.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.463 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.7 p -109.66 177.12 4.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.88 0.371 . . . . 0.0 110.806 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -94.02 147.84 22.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.51 162.72 27.96 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 9' ' ' SER . 10.1 tmm? -123.81 -60.12 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.835 0.35 . . . . 0.0 110.913 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 8' ' ' MET . 31.0 t -35.65 149.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 91.6 p -83.97 -47.24 11.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -96.49 95.53 8.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -110.44 99.32 8.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -171.11 156.92 4.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -95.21 100.65 12.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.0 m -61.73 -9.99 7.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.5 p -90.24 -27.36 19.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.7 ' OD2' ' HB2' ' A' ' 20' ' ' ALA . 25.1 t0 -75.47 92.62 2.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.573 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 19.5 mtp180 -60.17 -32.26 70.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -74.95 9.02 2.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.7 ' HB2' ' OD2' ' A' ' 17' ' ' ASP . . . -121.03 -26.01 5.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.128 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.582 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 61.8 p-90 -129.32 -40.07 1.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.481 ' HB2' ' CZ3' ' A' ' 21' ' ' TRP . 10.3 t80 -73.78 98.92 3.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.949 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.673 ' O ' ' C ' ' A' ' 24' ' ' GLY . 3.5 mmt -94.71 19.86 9.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.673 ' C ' ' O ' ' A' ' 23' ' ' MET . . . -4.22 -71.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.471 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.515 ' N ' ' O ' ' A' ' 23' ' ' MET . 54.0 Cg_endo -69.74 73.35 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.723 2.282 . . . . 0.0 112.346 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.536 ' CG1' ' N ' ' A' ' 27' ' ' SER . 2.8 t -141.67 158.49 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.536 ' N ' ' CG1' ' A' ' 26' ' ' VAL . 69.2 m -111.32 132.81 54.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 27' ' ' SER . 4.1 tpt180 -35.25 -56.8 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -47.14 -41.63 18.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.563 ' O ' HG22 ' A' ' 33' ' ' THR . 9.8 tt0 -65.93 -67.0 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.47 ' CB ' ' HD3' ' A' ' 46' ' ' ARG . . . -35.21 -31.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.089 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' A' ' 30' ' ' GLU . 3.0 mt-30 -72.94 -55.25 6.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 30' ' ' GLU . 5.2 t -58.53 -24.97 61.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.0 mtp180 -78.48 -27.64 46.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.432 ' CD2' ' HG2' ' A' ' 42' ' ' MET . 12.7 mt -116.3 9.66 14.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 32' ' ' GLN . 0.8 OUTLIER -83.09 114.61 21.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.97 15.08 62.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.464 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -85.49 161.4 19.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.776 0.322 . . . . 0.0 110.949 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -46.94 132.6 11.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -55.68 125.26 20.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.38 -38.73 2.22 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.48 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.432 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 28.2 ttm -39.47 141.27 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.797 0.332 . . . . 0.0 110.861 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 108' ' ' PRO . 2.4 p90 -148.17 169.65 19.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.63 ' C ' HD12 ' A' ' 44' ' ' LEU . 2.3 pp -175.0 148.59 1.03 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.583 HG22 HD23 ' A' ' 57' ' ' LEU . 47.1 t -116.75 114.38 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.47 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -115.83 169.55 9.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -85.34 115.63 23.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -46.63 172.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 46.0 t -118.05 -57.81 2.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.8 p -88.22 21.23 2.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.127 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 60.6 m -131.88 128.93 21.74 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.598 0.713 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 53' ' ' GLY . 54.2 Cg_endo -69.77 128.28 15.8 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.675 2.25 . . . . 0.0 112.365 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 52' ' ' PRO . . . 36.88 46.32 1.17 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.474 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -120.12 163.73 17.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.36 . . . . 0.0 110.838 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -122.39 164.49 17.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.3 t -138.77 105.57 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.085 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.76 ' C ' HD13 ' A' ' 57' ' ' LEU . 2.3 tm? -83.21 107.53 15.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.8 m -97.26 145.69 25.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.65 ' CG1' HD11 ' A' ' 57' ' ' LEU . 1.1 m -149.12 151.03 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.123 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.4 t -88.71 104.03 16.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.618 ' CG ' HG22 ' A' ' 102' ' ' THR . 7.5 tt0 -150.73 147.17 27.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.867 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.457 ' N ' ' HG2' ' A' ' 61' ' ' GLU . 18.2 m-80 57.77 53.14 7.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.3 m 43.55 29.67 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -151.14 -179.62 7.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 88.6 t -111.13 95.82 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.553 ' HB3' HG22 ' A' ' 59' ' ' VAL . 1.0 OUTLIER -62.63 117.84 6.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.84 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -98.43 93.96 6.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.442 ' O ' HD12 ' A' ' 70' ' ' ILE . 58.9 m-85 -89.6 99.33 12.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 78.5 mt -72.06 129.91 35.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.442 HD12 ' O ' ' A' ' 68' ' ' TYR . 3.4 mp -101.61 104.34 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -68.39 134.26 49.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.3 t -86.78 114.09 23.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.526 HD11 ' HG2' ' A' ' 84' ' ' GLU . 47.6 mt -83.22 151.36 62.82 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.609 0.719 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -23.02 31.22 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.37 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -87.79 50.0 1.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 37.61 51.89 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.812 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -147.28 159.19 43.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.594 ' CE2' ' CD2' ' A' ' 88' ' ' LEU . 37.0 m-85 -108.06 158.83 17.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.5 tttt -140.14 105.08 4.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.571 HG23 ' O ' ' A' ' 80' ' ' ILE . 11.5 tt -94.9 106.44 18.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.5 -106.71 2.05 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.47 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -118.35 24.02 11.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.78 0.324 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 -134.22 162.33 32.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.526 ' HG2' HD11 ' A' ' 73' ' ' LEU . 46.8 mt-10 -131.6 150.06 52.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.634 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 97.2 m-85 -137.22 175.74 9.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -76.26 -32.83 59.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.788 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 2.2 p80 -175.98 -174.95 0.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.594 ' CD2' ' CE2' ' A' ' 78' ' ' PHE . 3.3 mm? -53.96 -60.78 6.51 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.612 0.72 . . . . 0.0 110.955 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.8 Cg_endo -69.76 13.31 0.29 Allowed 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.739 2.293 . . . . 0.0 112.376 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.788 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -111.9 -26.72 8.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.634 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.4 pp -91.52 -40.57 11.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 31.0 mt -58.67 -46.66 86.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -62.65 -29.68 70.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -77.7 -22.7 50.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.433 ' HE2' HG21 ' A' ' 80' ' ' ILE . 10.9 m-85 -93.85 -11.72 30.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.948 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -61.14 -13.85 20.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.485 HG12 ' N ' ' A' ' 98' ' ' HIS . 0.1 OUTLIER -120.02 -29.77 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.485 ' N ' HG12 ' A' ' 97' ' ' ILE . 50.3 m170 -91.35 143.78 26.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.594 ' HA ' HG22 ' A' ' 104' ' ' THR . 2.3 m-85 -94.08 113.61 25.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.954 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.0 mt -49.28 -67.82 0.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -119.79 -64.25 1.28 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.618 HG22 ' CG ' ' A' ' 61' ' ' GLU . 5.3 t -129.98 -5.58 4.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.176 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.3 t -147.87 -179.13 6.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.594 HG22 ' HA ' ' A' ' 99' ' ' TYR . 35.6 p -121.46 -177.8 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 91.3 mt -86.78 103.71 15.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 15.5 mm -77.66 -68.72 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -155.02 152.38 25.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.654 0.74 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' A' ' 43' ' ' PHE . 53.8 Cg_endo -69.73 129.65 18.0 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.693 2.262 . . . . 0.0 112.322 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -39.9 151.16 0.24 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.582 0.706 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 150.3 67.91 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 0.0 112.342 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 38.2 mmm-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.955 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -118.73 102.01 8.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.844 0.354 . . . . 0.0 110.896 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.3 p -100.33 41.8 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.33 -149.24 13.02 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.5 m 61.51 41.49 12.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.867 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.5 m -103.61 114.64 29.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.23 -166.34 23.78 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.499 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.4 ptm -57.55 149.99 20.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.758 0.313 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.0 m -147.97 122.71 9.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.3 m -56.71 -175.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -49.93 96.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -129.31 98.96 5.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -175.05 176.38 2.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -110.82 100.7 9.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.495 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 55.2 m -57.62 -26.32 61.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.4 p -73.7 -42.37 61.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.534 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 9.9 t0 -65.07 101.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.588 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 5.5 mtt85 -67.72 -36.3 80.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 t -65.77 -3.82 5.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.468 ' HA ' ' CZ ' ' A' ' 111' ' ' ARG . . . -101.42 -31.34 10.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.588 ' CZ2' ' HG3' ' A' ' 18' ' ' ARG . 57.6 p-90 -124.52 -45.22 1.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.509 ' N ' ' O ' ' A' ' 18' ' ' ARG . 8.3 t80 -58.85 108.19 0.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.902 ' HG3' HD13 ' A' ' 44' ' ' LEU . 6.5 mmt -88.91 -2.77 58.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.834 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.503 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 29.52 -91.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.477 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.504 ' N ' ' O ' ' A' ' 23' ' ' MET . 54.3 Cg_endo -69.71 79.02 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.721 2.281 . . . . 0.0 112.359 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.711 HG21 ' HB3' ' A' ' 23' ' ' MET . 42.3 t -157.5 150.94 8.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.7 m -119.19 169.97 9.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.553 ' HG3' ' CE1' ' A' ' 67' ' ' HIS . 20.6 ttt180 -56.54 -49.39 74.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -46.38 -47.93 18.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.801 ' O ' HG22 ' A' ' 33' ' ' THR . 12.0 tt0 -73.34 -63.81 1.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.425 ' HB2' ' HD3' ' A' ' 46' ' ' ARG . . . -37.72 -37.08 0.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.757 ' HA ' HG21 ' A' ' 65' ' ' VAL . 8.7 mt-30 -64.91 -51.88 59.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.801 HG22 ' O ' ' A' ' 30' ' ' GLU . 6.1 t -59.89 -23.43 63.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.186 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 -82.2 -32.53 29.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 29.2 mt -108.22 5.86 26.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.501 ' N ' ' O ' ' A' ' 32' ' ' GLN . 0.7 OUTLIER -83.78 113.68 21.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.6 -29.92 5.15 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.481 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -48.85 162.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 110.949 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.457 ' NH1' ' HB3' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -59.63 160.15 7.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.902 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 41.7 m170 -75.97 120.35 21.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.16 -33.02 2.43 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.55 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 26.0 ttm -53.26 145.53 13.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.808 0.337 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.437 ' HB2' HG12 ' A' ' 59' ' ' VAL . 11.0 p90 -149.91 169.74 20.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.902 HD13 ' HG3' ' A' ' 23' ' ' MET . 1.3 pp -173.12 138.75 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.962 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 43.4 t -112.29 121.22 64.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.438 ' CD ' HG12 ' A' ' 26' ' ' VAL . 14.2 ptt85 -127.51 164.04 22.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -72.13 123.87 23.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.1 t -47.58 165.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.9 p -117.18 -6.93 11.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.846 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.419 HG23 ' H ' ' A' ' 51' ' ' CYS . 1.0 OUTLIER -135.01 -50.62 0.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.128 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.419 ' H ' HG23 ' A' ' 50' ' ' THR . 85.7 m -60.2 135.86 91.1 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.625 0.726 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 53' ' ' GLY . 54.4 Cg_endo -69.73 131.42 21.24 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.66 2.24 . . . . 0.0 112.39 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 52' ' ' PRO . . . 33.56 46.61 0.4 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.491 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -122.9 175.61 6.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.858 0.361 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -131.97 171.5 13.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.2 t -144.14 111.14 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.119 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 tp -85.28 104.06 14.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.97 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.0 m -93.11 130.11 38.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.668 HG22 ' HB2' ' A' ' 66' ' ' SER . 1.2 m -136.01 159.57 39.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.3 t -93.58 99.31 11.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.453 ' CG ' HG22 ' A' ' 102' ' ' THR . 0.3 OUTLIER -140.94 143.14 34.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.887 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 54.42 46.14 25.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.9 m 49.17 34.26 5.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.36 168.91 24.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.757 HG21 ' HA ' ' A' ' 32' ' ' GLN . 16.9 t -98.5 108.42 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.668 ' HB2' HG22 ' A' ' 59' ' ' VAL . 38.0 m -82.0 105.71 13.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.553 ' CE1' ' HG3' ' A' ' 28' ' ' ARG . 79.3 m-70 -87.12 93.8 9.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.48 ' O ' HD12 ' A' ' 70' ' ' ILE . 44.4 m-85 -86.2 102.42 13.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 81.6 mt -62.88 142.17 17.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.153 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.48 HD12 ' O ' ' A' ' 68' ' ' TYR . 5.2 mp -121.17 104.17 14.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -64.95 140.98 58.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 43.6 t -96.72 109.35 22.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 34.8 mt -80.74 148.58 65.63 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.624 0.726 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -22.26 32.39 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.66 2.24 . . . . 0.0 112.368 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -85.14 36.41 0.63 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.1 mtm180 50.06 47.93 22.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 76.0 mtt180 -141.92 156.36 45.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.475 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 81.2 m-85 -111.01 139.21 46.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.0 tttp -121.16 105.14 10.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.9 tt -91.97 103.98 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.64 -107.43 2.2 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.547 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -117.09 24.91 10.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.329 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -132.43 158.22 42.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -131.12 149.5 52.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.541 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 98.5 m-85 -138.64 172.94 12.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -69.54 -31.76 70.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 1.019 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 3.3 p80 -174.75 -175.01 0.86 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.504 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 8.7 mt -57.73 -59.73 12.13 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.711 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.7 Cg_endo -69.78 11.01 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.653 2.236 . . . . 0.0 112.335 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 1.019 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -109.56 -23.37 11.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.541 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.4 pp -89.08 -41.79 12.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.444 ' N ' HD12 ' A' ' 91' ' ' LEU . 16.3 mt -58.81 -36.64 74.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.453 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 6.1 pt-20 -71.59 -24.45 61.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.401 ' CD2' ' HE1' ' A' ' 85' ' ' PHE . 22.1 t80 -87.52 -15.27 38.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.435 ' CE1' HD23 ' A' ' 100' ' ' LEU . 3.1 m-85 -91.36 -22.77 20.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.968 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.453 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 6.8 mtpm? -51.51 -20.23 1.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.905 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.434 HG13 ' N ' ' A' ' 98' ' ' HIS . 46.1 pt -111.3 -32.2 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.434 ' N ' HG13 ' A' ' 97' ' ' ILE . 54.3 m170 -88.76 136.95 32.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.576 ' CD2' HG23 ' A' ' 104' ' ' THR . 12.6 m-85 -89.46 113.75 25.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.958 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.491 HD11 HD21 ' A' ' 105' ' ' LEU . 5.6 mt -54.06 -68.34 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -119.34 -66.23 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.453 HG22 ' CG ' ' A' ' 61' ' ' GLU . 8.1 t -131.77 -3.62 3.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.147 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 5.2 t -149.97 169.43 21.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.576 HG23 ' CD2' ' A' ' 99' ' ' TYR . 66.4 p -109.93 -179.92 3.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.113 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.491 HD21 HD11 ' A' ' 100' ' ' LEU . 74.4 mt -88.96 109.7 20.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 31.2 mm -87.04 -71.6 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -147.94 150.44 35.72 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 0.0 110.957 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 147.62 63.8 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.684 2.256 . . . . 0.0 112.358 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.468 ' HB1' ' HD2' ' A' ' 110' ' ' PRO . . . -61.79 157.36 49.94 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.542 0.687 . . . . 0.0 111.119 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.468 ' HD2' ' HB1' ' A' ' 109' ' ' ALA . 53.7 Cg_endo -69.76 148.78 65.82 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.656 2.237 . . . . 0.0 112.343 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.468 ' CZ ' ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.853 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 m -144.04 168.09 20.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.858 0.361 . . . . 0.0 110.86 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.6 m -152.23 148.21 27.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.69 51.48 4.27 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.8 p -162.89 122.43 2.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 110.884 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 m 47.38 42.41 14.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.63 70.96 0.82 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 35.9 mtt -145.4 107.12 4.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.808 0.337 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.3 m -127.73 144.76 51.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.848 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 11' ' ' ALA . 81.7 p -94.18 -174.99 3.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.848 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 10' ' ' SER . . . -35.69 99.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -129.37 101.63 6.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 31.6 p90 -166.96 168.19 14.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -99.53 106.22 18.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.484 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 45.6 p -64.06 -34.71 78.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 93.6 p -72.33 -36.34 68.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.692 ' OD2' ' HB2' ' A' ' 20' ' ' ALA . 25.1 t70 -68.79 97.22 0.8 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.593 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 13.0 mtm180 -66.69 -37.84 85.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.433 ' HA ' ' NH2' ' A' ' 111' ' ' ARG . 16.3 t -65.47 -3.9 5.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.692 ' HB2' ' OD2' ' A' ' 17' ' ' ASP . . . -101.38 -27.89 12.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.071 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.593 ' CZ2' ' HG3' ' A' ' 18' ' ' ARG . 52.8 p-90 -128.95 -46.05 1.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.954 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.519 ' N ' ' O ' ' A' ' 18' ' ' ARG . 10.0 t80 -54.28 111.62 0.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.683 ' HB3' HG21 ' A' ' 26' ' ' VAL . 7.1 mmt -91.52 -10.01 42.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.815 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.504 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 29.37 -92.03 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.508 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.5 Cg_endo -69.8 79.21 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.646 2.231 . . . . 0.0 112.317 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.683 HG21 ' HB3' ' A' ' 23' ' ' MET . 16.7 t -152.57 141.02 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.159 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 38.7 m -101.62 151.26 22.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.542 ' CZ ' ' CG ' ' A' ' 67' ' ' HIS . 5.4 tpt180 -44.21 -59.25 2.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.881 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -42.71 -43.27 3.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.704 ' O ' HG22 ' A' ' 33' ' ' THR . 10.7 tt0 -72.65 -65.62 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.85 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.491 ' CB ' ' HD3' ' A' ' 46' ' ' ARG . . . -34.47 -40.86 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.113 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.488 ' O ' ' N ' ' A' ' 36' ' ' GLN . 6.2 mt-30 -66.27 -55.29 16.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.704 HG22 ' O ' ' A' ' 30' ' ' GLU . 1.5 t -50.78 -21.73 1.79 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 -84.01 -31.86 25.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.451 ' CD2' ' HG2' ' A' ' 42' ' ' MET . 5.8 mt -114.32 14.23 17.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 32' ' ' GLN . 0.7 OUTLIER -89.58 105.63 17.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.44 -16.21 60.48 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -60.61 169.78 1.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.798 0.332 . . . . 0.0 110.909 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.1 ptp85 -68.84 131.85 45.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -46.63 133.69 10.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.34 -42.8 1.46 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.526 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.451 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 25.4 ttm -45.58 140.21 3.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.77 0.319 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.569 ' HB2' HG12 ' A' ' 59' ' ' VAL . 5.7 p90 -144.67 171.14 14.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.693 ' C ' HD12 ' A' ' 44' ' ' LEU . 2.9 pp -175.22 148.67 0.99 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 42.4 t -117.37 111.32 34.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.151 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.491 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -115.58 168.41 10.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -63.79 131.31 47.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.828 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.553 ' HA ' HG23 ' A' ' 56' ' ' VAL . 4.6 t -59.45 167.28 1.98 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 51' ' ' CYS . 7.3 t -88.3 133.46 34.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.869 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.466 HG23 ' O ' ' A' ' 50' ' ' THR . 8.2 t 33.62 33.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.12 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.506 ' N ' ' O ' ' A' ' 49' ' ' SER . 52.9 m -134.9 103.84 10.78 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.549 0.69 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 51' ' ' CYS . 53.7 Cg_endo -69.77 132.56 23.58 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.659 2.239 . . . . 0.0 112.332 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.26 -37.07 2.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -67.83 154.78 40.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.35 . . . . 0.0 110.828 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -130.24 168.45 16.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.553 HG23 ' HA ' ' A' ' 48' ' ' SER . 67.2 t -139.95 109.97 3.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.089 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.484 ' HB3' HD11 ' A' ' 70' ' ' ILE . 3.2 tp -86.57 104.78 16.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.6 m -90.84 132.15 36.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.569 HG12 ' HB2' ' A' ' 43' ' ' PHE . 1.6 m -139.93 155.13 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.102 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.1 t -89.92 115.52 27.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.593 ' CG ' HG22 ' A' ' 102' ' ' THR . 3.0 tm-20 -158.35 139.09 12.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.487 ' ND2' ' OE2' ' A' ' 61' ' ' GLU . 1.5 m-80 61.8 50.14 4.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.5 m 45.12 30.86 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -149.03 178.86 8.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.476 HG21 ' HA ' ' A' ' 32' ' ' GLN . 25.4 t -108.45 102.95 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.5 m -77.07 104.24 7.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.542 ' CG ' ' CZ ' ' A' ' 28' ' ' ARG . 62.1 m-70 -90.22 89.38 7.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.836 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -82.0 124.5 29.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 77.3 mt -85.07 140.38 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.135 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.484 HD11 ' HB3' ' A' ' 57' ' ' LEU . 5.2 mp -118.5 105.3 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -69.65 134.71 49.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.1 t -93.96 99.09 11.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.815 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 19.7 mt -68.78 141.94 93.15 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.635 0.731 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -3.04 11.21 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.646 2.231 . . . . 0.0 112.351 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -97.59 40.72 1.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.47 ' CZ ' ' HA ' ' A' ' 76' ' ' ARG . 3.0 mmp_? 49.07 41.0 18.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -148.49 158.18 43.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.506 ' CD1' ' HA ' ' A' ' 87' ' ' HIS . 1.8 m-85 -108.35 162.83 13.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 34.9 tttt -141.52 105.15 4.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.6 tt -98.42 103.22 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.17 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.49 -106.41 2.11 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.464 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -119.73 22.2 11.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.79 0.329 . . . . 0.0 110.84 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -128.69 166.84 18.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -140.95 145.33 35.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.607 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 99.0 m-85 -134.47 -178.99 5.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -75.83 -32.75 59.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 1.02 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 3.2 p80 -172.46 -174.97 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.5 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 8.7 mt -57.62 -60.1 10.93 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.589 0.709 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.9 Cg_endo -69.7 11.86 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.69 2.26 . . . . 0.0 112.39 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 1.02 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -111.38 -21.85 11.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.607 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.3 pp -89.97 -41.09 11.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.0 mt -61.22 -38.45 86.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.406 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 6.7 pt-20 -67.44 -27.71 67.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.457 ' CE2' ' CE1' ' A' ' 98' ' ' HIS . 16.0 t80 -82.63 -21.38 35.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.612 ' CE1' HD23 ' A' ' 100' ' ' LEU . 8.7 m-85 -84.82 -22.3 29.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.952 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.406 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 6.7 mtpm? -49.93 -19.17 0.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 49.8 pt -115.73 -32.1 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.457 ' CE1' ' CE2' ' A' ' 94' ' ' PHE . 58.6 m170 -88.43 130.41 35.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.742 ' HA ' HG22 ' A' ' 104' ' ' THR . 9.7 m-85 -86.47 114.3 23.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.874 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.612 HD23 ' CE1' ' A' ' 95' ' ' TYR . 5.7 mt -53.0 -68.08 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -117.75 -68.25 0.93 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.593 HG22 ' CG ' ' A' ' 61' ' ' GLU . 10.3 t -126.48 -10.88 6.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 13.6 t -144.32 179.84 6.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.742 HG22 ' HA ' ' A' ' 99' ' ' TYR . 67.8 p -121.68 -174.87 2.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.183 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.502 HD22 ' CB ' ' A' ' 43' ' ' PHE . 52.2 mt -90.74 113.13 25.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 31.9 mm -93.87 -70.33 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.097 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -144.51 147.08 34.99 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.627 0.727 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 138.41 37.89 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.365 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.443 ' HB2' ' CD2' ' A' ' 35' ' ' LEU . . . -47.47 147.98 2.63 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.631 0.729 . . . . 0.0 111.036 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 147.67 63.31 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.693 2.262 . . . . 0.0 112.379 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.433 ' NH2' ' HA ' ' A' ' 19' ' ' SER . 14.0 mtt180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.0 p -102.89 129.68 49.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 0.0 110.908 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.5 m -143.22 114.4 7.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.1 148.54 5.59 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.493 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 t -136.13 145.81 46.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.876 0.369 . . . . 0.0 110.856 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 t -69.27 140.73 54.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.817 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.62 107.88 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.461 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.4 ptt? -70.33 149.15 47.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.726 0.298 . . . . 0.0 110.911 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.7 t -132.91 150.36 52.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.6 p -77.34 165.78 24.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 48.27 51.41 15.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.051 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -99.63 84.94 3.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.557 ' CE1' ' HE3' ' A' ' 96' ' ' LYS . 52.0 p90 -157.87 155.38 29.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -88.24 121.85 31.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.496 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 77.2 p -78.78 -17.46 55.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 95.6 p -84.63 -37.17 21.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 20' ' ' ALA . 12.0 t0 -60.71 88.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.59 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 14.5 mtm180 -58.55 -34.45 71.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.434 ' O ' ' CD ' ' A' ' 111' ' ' ARG . 47.8 t -71.95 2.82 5.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.49 ' N ' ' OD1' ' A' ' 17' ' ' ASP . . . -112.91 -27.41 8.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.117 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.59 ' CZ2' ' HG3' ' A' ' 18' ' ' ARG . 59.5 p-90 -128.34 -41.22 1.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.467 ' N ' ' CE3' ' A' ' 21' ' ' TRP . 5.5 t80 -67.03 124.72 23.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.668 ' O ' ' C ' ' A' ' 24' ' ' GLY . 3.1 mmt -123.27 18.89 9.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.874 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.668 ' C ' ' O ' ' A' ' 23' ' ' MET . . . -1.19 -73.65 0.0 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.517 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.529 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.3 Cg_endo -69.78 74.5 1.29 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.704 2.269 . . . . 0.0 112.338 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.679 HG11 ' HB2' ' A' ' 31' ' ' ALA . 2.5 t -137.71 155.72 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.49 ' N ' ' CG1' ' A' ' 26' ' ' VAL . 6.1 t -115.53 137.66 51.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 27' ' ' SER . 7.0 tpt180 -36.51 -53.52 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -55.41 -41.54 72.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.594 ' O ' HG22 ' A' ' 33' ' ' THR . 8.9 tt0 -65.25 -72.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.679 ' HB2' HG11 ' A' ' 26' ' ' VAL . . . -37.73 -30.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 36' ' ' GLN . 6.1 mt-30 -73.22 -50.0 24.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.594 HG22 ' O ' ' A' ' 30' ' ' GLU . 1.6 t -58.19 -23.9 57.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.447 ' NH1' ' O ' ' A' ' 110' ' ' PRO . 2.0 mtp-105 -81.62 -33.38 31.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.5 mt -107.37 8.16 29.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 32' ' ' GLN . 1.2 tp60 -86.57 113.13 22.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.95 -16.82 19.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.547 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.41 ' CG ' ' O ' ' A' ' 34' ' ' ARG . 11.8 mm100 -60.09 165.93 3.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.744 0.306 . . . . 0.0 110.925 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.82 158.67 6.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 21.6 m170 -76.66 124.25 27.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.844 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 129.61 -33.48 2.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.527 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 34.1 ttm -48.97 146.51 3.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.816 0.341 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -151.07 165.66 33.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.489 ' C ' HD12 ' A' ' 44' ' ' LEU . 3.4 pp -175.09 137.56 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.0 t -104.12 152.3 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.127 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.622 ' HG2' HG13 ' A' ' 56' ' ' VAL . 5.7 ptt85 -143.7 -178.08 5.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.457 ' O ' ' CG ' ' A' ' 47' ' ' ASP . 1.5 p-10 -95.02 111.96 23.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -50.73 123.18 8.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.81 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.7 m -66.74 148.95 51.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.846 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.6 p 45.28 26.79 0.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.17 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 82.0 m -146.45 105.03 4.03 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.591 0.71 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 128.78 16.54 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.709 2.273 . . . . 0.0 112.362 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.94 -45.55 3.33 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.487 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -51.76 147.77 6.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.412 ' CD2' HD11 ' A' ' 88' ' ' LEU . 22.1 m-85 -136.0 -175.63 4.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.622 HG13 ' HG2' ' A' ' 46' ' ' ARG . 2.5 p -159.94 112.92 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.13 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.0 tp -86.02 105.5 16.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.9 m -91.07 129.53 37.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.62 HG22 ' HB2' ' A' ' 66' ' ' SER . 0.9 OUTLIER -136.34 160.06 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.085 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.5 t -97.14 102.28 14.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.997 ' CD ' HG22 ' A' ' 102' ' ' THR . 9.2 tt0 -152.65 151.65 30.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.467 ' N ' ' HG2' ' A' ' 61' ' ' GLU . 65.8 m-20 61.34 31.59 19.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.2 t 60.74 33.22 20.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -159.63 178.45 9.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 49.6 t -103.55 106.27 19.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.146 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.62 ' HB2' HG22 ' A' ' 59' ' ' VAL . 48.8 m -76.56 104.73 7.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -86.71 74.48 9.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.48 ' O ' HD12 ' A' ' 70' ' ' ILE . 43.9 m-85 -68.76 93.71 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 69.0 mt -63.76 123.06 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.151 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.481 ' CG2' ' HB3' ' A' ' 78' ' ' PHE . 4.5 mp -94.74 107.05 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.136 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -66.4 153.04 43.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.7 t -106.08 102.74 12.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.548 HD21 ' HB2' ' A' ' 79' ' ' LYS . 32.6 mt -73.54 145.89 85.43 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.575 0.702 . . . . 0.0 110.95 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -16.43 37.36 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.65 2.233 . . . . 0.0 112.318 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.45 ' O ' ' NH1' ' A' ' 77' ' ' ARG . 18.6 p-10 -83.15 35.3 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 53.87 37.0 25.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.45 ' NH1' ' O ' ' A' ' 75' ' ' ASN . 0.8 OUTLIER -143.0 167.52 21.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.913 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.481 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 89.6 m-85 -109.87 162.18 14.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.548 ' HB2' HD21 ' A' ' 73' ' ' LEU . 12.3 tttp -141.18 105.31 4.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.409 HG23 ' O ' ' A' ' 80' ' ' ILE . 3.7 tt -84.55 98.37 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 70.85 -97.66 0.65 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.44 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -120.81 22.28 11.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.749 0.309 . . . . 0.0 110.824 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -131.64 147.56 52.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.417 ' HG2' HD11 ' A' ' 73' ' ' LEU . 21.7 mt-10 -119.95 153.98 35.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.613 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 97.9 m-85 -146.24 158.43 43.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -56.99 -29.45 63.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 1.015 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 3.1 p80 -176.02 -175.0 0.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.818 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.51 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 9.8 mt -57.96 -59.41 13.28 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.59 0.71 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.7 Cg_endo -69.78 9.43 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.249 . . . . 0.0 112.356 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 1.015 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -107.16 -16.71 14.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.613 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 3.1 pp -97.93 -41.69 7.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.47 ' N ' HD12 ' A' ' 91' ' ' LEU . 16.6 mt -58.31 -33.87 69.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -76.61 -24.32 53.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -83.67 -15.2 49.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.498 ' CE1' HD23 ' A' ' 100' ' ' LEU . 5.4 m-85 -92.72 -14.24 28.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.557 ' HE3' ' CE1' ' A' ' 13' ' ' PHE . 36.2 mttp -57.0 -19.77 20.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.883 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.469 HG13 ' N ' ' A' ' 98' ' ' HIS . 42.3 pt -114.33 -34.47 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.469 ' N ' HG13 ' A' ' 97' ' ' ILE . 52.1 m170 -89.21 134.42 34.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.828 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.801 ' CD2' HG23 ' A' ' 104' ' ' THR . 20.5 m-85 -87.81 114.36 24.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.498 HD23 ' CE1' ' A' ' 95' ' ' TYR . 8.1 mt -46.47 -67.09 0.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -126.03 -62.81 1.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.997 HG22 ' CD ' ' A' ' 61' ' ' GLU . 8.2 t -128.52 -7.2 5.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.153 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.1 t -150.02 177.26 10.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.137 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.801 HG23 ' CD2' ' A' ' 99' ' ' TYR . 76.1 p -120.41 -178.36 3.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.173 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 86.0 mt -84.91 117.37 23.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 39.7 mm -94.36 -69.51 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -148.51 143.57 17.5 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.596 0.712 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 132.77 24.03 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.645 ' HB1' ' HD2' ' A' ' 110' ' ' PRO . . . -46.87 162.43 0.27 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.603 0.716 . . . . 0.0 111.093 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.645 ' HD2' ' HB1' ' A' ' 109' ' ' ALA . 53.9 Cg_endo -69.74 146.23 59.72 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.639 2.226 . . . . 0.0 112.366 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.434 ' CD ' ' O ' ' A' ' 19' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.1 t -167.42 151.75 6.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.826 0.346 . . . . 0.0 110.884 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 p -132.97 167.6 19.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -39.91 144.98 0.37 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.47 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.5 p -148.07 139.52 23.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.349 . . . . 0.0 110.882 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -103.88 153.07 21.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.72 88.58 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.473 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.6 mmt -78.49 -55.47 5.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.761 0.315 . . . . 0.0 110.857 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.8 p -105.38 157.2 17.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.2 m -61.53 -57.31 12.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.83 113.48 1.88 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.07 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.4 tpt85 -127.22 93.82 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -172.64 162.04 5.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -102.52 109.94 21.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.493 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 14.9 m -68.51 -23.7 64.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.3 t -73.57 -32.62 64.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.597 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 16.3 t70 -75.76 98.07 4.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.588 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 23.1 mtt180 -64.1 -39.91 95.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.8 t -64.85 -4.2 4.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.593 ' HB2' ' OD2' ' A' ' 17' ' ' ASP . . . -100.68 -26.55 13.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.077 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.597 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 51.7 p-90 -130.51 -47.03 1.07 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.517 ' N ' ' O ' ' A' ' 18' ' ' ARG . 10.0 t80 -58.01 96.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.954 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.573 ' HB3' HG21 ' A' ' 26' ' ' VAL . 6.6 mtt -99.75 37.1 1.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.557 ' C ' ' O ' ' A' ' 23' ' ' MET . . . -22.07 -67.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 72.07 1.46 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.728 2.285 . . . . 0.0 112.329 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.573 HG21 ' HB3' ' A' ' 23' ' ' MET . 15.7 t -148.18 124.72 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -81.19 149.19 29.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -48.43 -58.77 4.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -45.97 -30.23 1.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.758 ' O ' HG22 ' A' ' 33' ' ' THR . 11.3 tt0 -80.42 -69.29 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.677 ' HB1' HD21 ' A' ' 44' ' ' LEU . . . -36.24 -29.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 30' ' ' GLU . 5.3 mt-30 -71.5 -50.65 29.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.758 HG22 ' O ' ' A' ' 30' ' ' GLU . 10.9 t -59.44 -26.06 64.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -76.63 -33.62 58.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 mt -112.19 14.48 20.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 32' ' ' GLN . 0.9 OUTLIER -88.5 106.19 18.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.38 -6.65 83.02 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.497 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -69.44 164.44 23.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.751 0.31 . . . . 0.0 110.94 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -58.16 147.66 29.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 56.3 m170 -63.48 117.8 7.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 42' ' ' MET . . . 140.41 -47.18 0.89 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.465 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.456 ' HG2' ' HB2' ' A' ' 109' ' ' ALA . 17.9 ttm -37.24 143.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.341 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.682 ' HB2' HG12 ' A' ' 59' ' ' VAL . 5.5 p90 -151.5 162.95 40.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.677 HD21 ' HB1' ' A' ' 31' ' ' ALA . 1.1 pp -164.36 142.17 6.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 23' ' ' MET . 57.7 t -112.03 114.85 48.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.167 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.556 ' HD3' HD11 ' A' ' 44' ' ' LEU . 5.7 ptt85 -120.36 166.64 13.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -65.67 139.06 58.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.812 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.29 -175.52 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.849 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 51' ' ' CYS . 10.7 m -52.33 -173.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.813 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.428 ' H ' HG22 ' A' ' 50' ' ' THR . 0.1 OUTLIER -41.23 -22.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.166 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 49' ' ' SER . 76.8 m -74.52 111.43 12.92 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.61 0.719 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 51' ' ' CYS . 53.8 Cg_endo -69.8 145.81 58.04 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.655 2.237 . . . . 0.0 112.33 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 105.81 -56.42 0.52 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.515 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -60.84 158.86 12.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.789 0.328 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -136.13 166.1 24.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.625 HG22 HG12 ' A' ' 69' ' ' ILE . 69.7 t -138.72 111.96 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.479 ' CB ' HD11 ' A' ' 70' ' ' ILE . 4.6 tp -89.62 100.78 13.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 44.1 m -90.94 126.06 35.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.682 HG12 ' HB2' ' A' ' 43' ' ' PHE . 1.5 m -133.8 157.9 42.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.117 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.0 t -91.05 101.67 14.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.574 ' CG ' HG22 ' A' ' 102' ' ' THR . 13.7 tt0 -143.75 144.54 31.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 57.84 53.08 7.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.1 m 45.32 30.94 0.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.8 ptt-85 -156.0 176.61 12.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 39.9 t -99.04 97.03 5.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.5 m -70.11 97.99 1.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.857 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -80.39 104.11 10.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -100.57 97.55 8.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.962 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.625 HG12 HG22 ' A' ' 56' ' ' VAL . 93.1 mt -64.78 136.01 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.479 HD11 ' CB ' ' A' ' 57' ' ' LEU . 5.2 mp -102.74 113.55 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.17 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -75.02 131.64 40.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.2 t -91.08 106.19 18.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.738 HD11 ' HB2' ' A' ' 79' ' ' LYS . 18.3 mt -82.98 151.38 63.61 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.629 0.728 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -23.97 30.37 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.665 2.243 . . . . 0.0 112.362 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 76' ' ' ARG . 55.7 t30 -78.67 49.32 0.88 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.845 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 75' ' ' ASN . 6.0 mmm180 35.87 42.8 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.2 mtp-105 -144.32 161.95 37.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -110.18 160.79 16.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.738 ' HB2' HD11 ' A' ' 73' ' ' LEU . 75.5 tttt -141.63 106.12 4.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.572 HG23 ' O ' ' A' ' 80' ' ' ILE . 15.1 tt -96.62 102.44 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.31 -108.08 2.58 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.537 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -118.11 21.35 12.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.71 0.29 . . . . 0.0 110.811 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -129.4 163.27 26.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -137.85 150.48 47.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.567 ' CD1' ' HA ' ' A' ' 91' ' ' LEU . 97.2 m-85 -137.96 -178.47 5.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.858 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -76.89 -29.83 55.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 1.008 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 2.7 p80 -175.88 -174.99 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.496 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 9.0 mt -56.5 -60.02 10.43 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.57 0.7 . . . . 0.0 110.921 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.2 Cg_endo -69.79 9.1 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.645 2.23 . . . . 0.0 112.346 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 1.008 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -109.01 -19.47 13.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.567 ' HA ' ' CD1' ' A' ' 85' ' ' PHE . 3.1 pp -94.73 -40.37 9.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.9 mt -64.17 -39.62 94.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.471 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 5.5 pt-20 -65.33 -25.21 67.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.619 ' CE2' ' CE1' ' A' ' 98' ' ' HIS . 31.7 t80 -84.6 -24.49 29.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.735 ' CE1' HD23 ' A' ' 100' ' ' LEU . 17.7 m-85 -84.14 -19.97 33.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.471 ' CD ' ' HA ' ' A' ' 93' ' ' GLU . 7.9 mtpm? -53.02 -19.18 2.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.917 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.437 HG13 ' N ' ' A' ' 98' ' ' HIS . 35.7 pt -116.24 -34.96 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.156 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.619 ' CE1' ' CE2' ' A' ' 94' ' ' PHE . 59.0 m170 -85.28 146.27 27.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.824 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.689 ' CD2' HG23 ' A' ' 104' ' ' THR . 3.3 m-85 -96.45 113.94 25.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.735 HD23 ' CE1' ' A' ' 95' ' ' TYR . 8.9 mt -48.77 -66.63 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.939 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -123.6 -63.36 1.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.574 HG22 ' CG ' ' A' ' 61' ' ' GLU . 11.8 t -127.55 -8.93 5.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 4.4 t -144.46 -175.95 4.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.689 HG23 ' CD2' ' A' ' 99' ' ' TYR . 44.5 p -124.39 -177.21 3.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.565 HD12 ' HB2' ' A' ' 95' ' ' TYR . 70.0 mt -91.81 105.01 17.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 25.5 mm -79.04 -70.75 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -151.32 152.56 31.18 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.586 0.708 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 140.12 41.81 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.637 2.225 . . . . 0.0 112.382 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.492 ' O ' ' HE1' ' A' ' 23' ' ' MET . . . -57.98 151.51 44.3 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.562 0.696 . . . . 0.0 111.087 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 149.55 66.75 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.697 2.264 . . . . 0.0 112.322 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.4 p -126.32 148.7 49.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.36 . . . . 0.0 110.859 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.0 p -157.05 175.37 14.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.81 163.79 32.94 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.454 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.8 t 52.5 42.01 31.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.87 0.367 . . . . 0.0 110.889 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.4 m -63.22 -58.81 5.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.69 91.47 0.78 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.517 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.3 mtp -80.25 -53.88 6.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.793 0.33 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.4 m -58.73 145.68 39.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.815 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 t -70.1 -56.57 6.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.812 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.67 89.09 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.097 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -125.25 90.26 3.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.495 ' CE1' ' NZ ' ' A' ' 96' ' ' LYS . 37.7 p90 -148.86 155.8 41.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -83.05 91.36 7.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.49 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 67.7 m -58.68 -24.09 60.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.6 m -77.88 -33.51 52.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.603 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 7.8 t70 -71.51 102.74 2.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.821 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.599 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 6.8 mtm-85 -66.5 -34.18 77.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.2 t -70.52 2.32 4.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.82 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -109.66 -26.2 10.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.082 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.603 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 56.8 p-90 -130.38 -43.55 1.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.448 ' N ' ' CE3' ' A' ' 21' ' ' TRP . 9.8 t80 -64.51 105.66 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.742 ' HB3' HG21 ' A' ' 26' ' ' VAL . 4.5 mmt -88.48 -1.48 58.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.503 ' C ' ' O ' ' A' ' 23' ' ' MET . . . 28.67 -91.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.521 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.5 Cg_endo -69.77 79.49 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.706 2.271 . . . . 0.0 112.341 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.742 HG21 ' HB3' ' A' ' 23' ' ' MET . 24.9 t -154.09 130.02 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.9 m -89.79 162.03 15.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.475 ' HB3' ' CZ ' ' A' ' 28' ' ' ARG . 19.1 ttp-105 -54.48 -54.28 43.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -46.3 -31.08 2.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.572 ' O ' HG22 ' A' ' 33' ' ' THR . 10.4 tt0 -83.0 -70.6 0.54 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.451 ' HB1' HD11 ' A' ' 44' ' ' LEU . . . -35.83 -29.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.041 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.511 ' N ' ' O ' ' A' ' 30' ' ' GLU . 5.5 mt-30 -72.52 -53.48 11.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.572 HG22 ' O ' ' A' ' 30' ' ' GLU . 3.9 t -58.27 -23.05 54.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.448 ' NH1' ' O ' ' A' ' 110' ' ' PRO . 1.6 mtp-105 -78.67 -35.71 44.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.421 ' CD2' ' HG2' ' A' ' 42' ' ' MET . 12.3 mt -107.52 4.22 25.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 32' ' ' GLN . 0.7 OUTLIER -82.01 117.65 22.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.25 -21.36 7.17 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.446 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -57.96 169.23 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 110.934 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.23 154.69 34.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -69.59 124.0 22.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.414 ' HA3' ' CG1' ' A' ' 106' ' ' ILE . . . 132.6 -39.23 1.77 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.519 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.431 ' HG2' ' HB2' ' A' ' 109' ' ' ALA . 23.1 ttm -45.65 143.99 1.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.578 ' HB2' HG12 ' A' ' 59' ' ' VAL . 2.6 p90 -150.36 171.01 17.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.451 HD11 ' HB1' ' A' ' 31' ' ' ALA . 4.3 pp -174.84 149.25 1.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 30.6 t -120.55 122.67 68.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.47 ' NH2' ' CA ' ' A' ' 28' ' ' ARG . 4.3 ptt85 -125.24 179.82 4.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -82.02 109.87 16.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.419 ' CB ' HG23 ' A' ' 56' ' ' VAL . 1.6 p -47.37 154.94 0.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.6 t -120.84 -34.67 3.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 76.4 p -77.41 -41.45 39.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.146 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 97.8 m -96.18 142.73 24.98 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.57 0.7 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 53' ' ' GLY . 53.7 Cg_endo -69.75 134.82 28.94 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.652 2.234 . . . . 0.0 112.36 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 52' ' ' PRO . . . 34.74 52.81 0.82 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -131.08 172.07 12.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -117.74 165.55 13.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.945 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.419 HG23 ' CB ' ' A' ' 48' ' ' SER . 77.1 t -140.72 108.49 2.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.125 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.816 ' HB2' HD11 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -79.97 106.52 12.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.7 m -97.11 133.52 41.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.578 HG12 ' HB2' ' A' ' 43' ' ' PHE . 1.2 m -143.89 154.2 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.142 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.2 t -88.41 101.39 13.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.657 ' CD ' HG22 ' A' ' 102' ' ' THR . 12.5 tt0 -149.77 147.44 28.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.416 ' N ' ' HG2' ' A' ' 61' ' ' GLU . 44.1 m-20 56.74 54.88 6.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.4 t 41.69 30.39 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.2 ptt-85 -155.08 176.52 12.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.461 HG21 ' HA ' ' A' ' 32' ' ' GLN . 19.1 t -104.42 100.67 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.509 ' HB3' HG22 ' A' ' 59' ' ' VAL . 0.6 OUTLIER -64.42 112.11 2.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.844 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -97.76 82.91 3.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.545 ' O ' HD12 ' A' ' 70' ' ' ILE . 50.9 m-85 -78.79 114.03 17.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.929 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 80.2 mt -73.2 129.08 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.816 HD11 ' HB2' ' A' ' 57' ' ' LEU . 3.7 mp -106.17 106.53 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -70.83 140.72 51.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.4 t -100.99 100.65 11.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.816 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' A' ' 79' ' ' LYS . 19.4 mt -73.77 145.49 84.34 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.621 0.724 . . . . 0.0 110.942 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -4.69 14.53 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.701 2.267 . . . . 0.0 112.354 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -92.25 30.85 1.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 57.01 32.49 21.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -143.26 159.39 42.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -105.25 162.46 13.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.571 ' HB2' HD11 ' A' ' 73' ' ' LEU . 71.4 tttt -135.97 104.98 5.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.572 HG23 ' O ' ' A' ' 80' ' ' ILE . 5.8 tt -96.61 97.11 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.15 -108.4 2.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.453 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -118.71 28.12 8.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.793 0.33 . . . . 0.0 110.898 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -137.4 164.98 27.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -134.98 153.55 52.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.58 ' CD2' ' HB3' ' A' ' 91' ' ' LEU . 97.9 m-85 -139.95 169.83 16.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -67.19 -31.3 71.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.615 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 2.2 p80 -177.45 -175.02 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.523 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 8.8 mt -56.63 -58.92 14.11 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.628 0.728 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 53.7 Cg_endo -69.75 21.55 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.677 2.252 . . . . 0.0 112.343 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.615 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -117.92 -39.37 3.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.075 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.58 ' HB3' ' CD2' ' A' ' 85' ' ' PHE . 3.8 pp -73.37 -42.17 62.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.486 ' N ' HD12 ' A' ' 91' ' ' LEU . 13.1 mt -60.0 -38.7 83.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.477 ' HA ' ' CD ' ' A' ' 96' ' ' LYS . 2.8 mt-10 -64.8 -28.29 69.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.469 ' CE2' ' CE1' ' A' ' 98' ' ' HIS . 22.0 t80 -86.44 -15.93 38.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.603 ' CE1' HD23 ' A' ' 100' ' ' LEU . 5.9 m-85 -91.41 -24.79 19.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.993 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.495 ' NZ ' ' CE1' ' A' ' 13' ' ' PHE . 12.6 mtpp -49.22 -19.87 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.909 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 50.1 pt -114.87 -31.54 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.136 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.469 ' CE1' ' CE2' ' A' ' 94' ' ' PHE . 52.8 m170 -87.98 144.03 26.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.776 ' CD2' HG23 ' A' ' 104' ' ' THR . 5.2 m-85 -94.35 113.6 25.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.603 HD23 ' CE1' ' A' ' 95' ' ' TYR . 8.0 mt -51.93 -70.2 0.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -115.43 -66.3 1.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.657 HG22 ' CD ' ' A' ' 61' ' ' GLU . 10.2 t -127.69 -11.45 5.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.175 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.4 HG23 ' N ' ' A' ' 104' ' ' THR . 1.3 t -140.67 -178.58 5.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.776 HG23 ' CD2' ' A' ' 99' ' ' TYR . 52.0 p -123.45 175.98 6.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 83.3 mt -83.59 110.97 18.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.414 ' CG1' ' HA3' ' A' ' 41' ' ' GLY . 32.0 mm -87.3 -71.36 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -147.33 141.68 16.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.609 0.719 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 43' ' ' PHE . 53.6 Cg_endo -69.76 130.21 18.95 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.702 2.268 . . . . 0.0 112.304 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.431 ' HB2' ' HG2' ' A' ' 42' ' ' MET . . . -48.82 149.49 3.12 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.623 0.725 . . . . 0.0 111.075 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.448 ' O ' ' NH1' ' A' ' 34' ' ' ARG . 53.6 Cg_endo -69.74 146.06 59.15 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.74 2.293 . . . . 0.0 112.334 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.837 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 p -164.92 120.27 1.38 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.889 0.376 . . . . 0.0 110.822 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 p -124.69 173.61 8.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.91 -144.81 15.9 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.517 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t 66.07 42.31 3.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.848 0.356 . . . . 0.0 110.848 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.2 t -166.06 161.89 17.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.6 111.31 2.47 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.519 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.431 ' C ' ' SD ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -64.14 148.85 48.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.764 0.316 . . . . 0.0 110.879 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 87.7 p -142.95 117.11 9.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 11' ' ' ALA . 85.8 p -69.36 -175.02 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 10' ' ' SER . . . -34.93 99.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.112 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.2 tpt85 -140.73 106.13 5.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -169.23 174.24 6.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -101.6 86.76 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.826 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.487 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 66.5 m -50.66 -18.05 0.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.5 t -81.19 -42.1 21.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.608 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 11.1 t0 -58.97 89.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.593 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 15.8 mtm180 -57.09 -37.69 72.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.4 t -69.56 0.33 5.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.495 ' N ' ' OD1' ' A' ' 17' ' ' ASP . . . -108.72 -25.86 10.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.078 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.608 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 42.3 p-90 -129.69 -44.54 1.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.489 ' HB2' ' CZ3' ' A' ' 21' ' ' TRP . 15.9 t80 -69.1 97.67 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.888 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.607 ' HB3' HG21 ' A' ' 26' ' ' VAL . 5.1 mtt -98.18 35.06 1.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.599 ' C ' ' O ' ' A' ' 23' ' ' MET . . . -19.56 -69.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 72.42 1.44 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.681 2.254 . . . . 0.0 112.365 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.607 HG21 ' HB3' ' A' ' 23' ' ' MET . 9.5 t -147.36 142.18 19.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.113 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.0 m -93.29 153.82 18.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -52.75 -54.91 27.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -50.68 -42.18 56.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.712 ' O ' HG22 ' A' ' 33' ' ' THR . 9.8 tt0 -64.47 -64.63 0.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 30' ' ' GLU . . . -36.18 -36.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.107 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 36' ' ' GLN . 3.8 mt-30 -65.6 -54.05 33.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.712 HG22 ' O ' ' A' ' 30' ' ' GLU . 4.1 t -57.13 -23.63 48.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.418 ' HB3' ' NH1' ' A' ' 34' ' ' ARG . 1.5 mtp-105 -81.09 -34.11 32.88 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.592 HD11 ' CD2' ' A' ' 44' ' ' LEU . 14.0 mt -113.6 17.4 18.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 32' ' ' GLN . 1.1 tp60 -95.47 111.15 23.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.89 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.28 -22.08 34.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.53 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -60.11 164.1 4.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.784 0.326 . . . . 0.0 110.936 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.416 HH11 ' CE ' ' A' ' 42' ' ' MET . 0.1 OUTLIER -57.91 154.8 11.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 50.8 m170 -70.42 117.54 12.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 139.77 -40.91 1.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.432 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 30.0 ttm -44.86 142.01 1.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.418 ' HB2' HG12 ' A' ' 59' ' ' VAL . 11.0 p90 -144.84 172.29 13.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.592 ' CD2' HD11 ' A' ' 35' ' ' LEU . 3.5 pp -173.38 137.46 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.467 HG11 HD11 ' A' ' 88' ' ' LEU . 47.4 t -106.38 103.6 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.539 HH12 HG11 ' A' ' 56' ' ' VAL . 0.6 OUTLIER -106.2 177.98 4.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -80.01 131.55 35.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.565 ' HB2' HG23 ' A' ' 56' ' ' VAL . 32.5 t -76.36 95.26 3.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.4 t -56.47 -51.97 66.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.87 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.699 HG23 ' H ' ' A' ' 51' ' ' CYS . 0.2 OUTLIER -47.74 -63.75 0.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.699 ' H ' HG23 ' A' ' 50' ' ' THR . 88.6 m -101.5 124.18 41.81 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.599 0.714 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 130.42 19.39 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.683 2.255 . . . . 0.0 112.329 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.23 -46.69 2.0 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.48 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -63.57 163.35 11.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.765 0.316 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.43 ' CE2' ' CE2' ' A' ' 78' ' ' PHE . 20.5 m-85 -118.03 169.12 9.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.565 HG23 ' HB2' ' A' ' 48' ' ' SER . 84.4 t -138.19 108.87 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.128 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.7 tp -88.48 102.11 14.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.4 m -90.74 129.74 36.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.557 HG22 ' HB3' ' A' ' 66' ' ' SER . 1.0 OUTLIER -135.31 151.82 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.196 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.8 t -84.54 118.63 24.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.588 ' HG3' HG22 ' A' ' 102' ' ' THR . 2.1 tm-20 -160.68 137.99 9.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.479 ' ND2' ' OE2' ' A' ' 61' ' ' GLU . 2.2 m-80 57.22 52.47 8.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.0 m 46.03 30.63 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.427 ' CG ' ' O ' ' A' ' 61' ' ' GLU . 0.1 OUTLIER -146.03 -178.71 6.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.466 HG21 ' HA ' ' A' ' 32' ' ' GLN . 78.6 t -115.16 96.89 4.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.557 ' HB3' HG22 ' A' ' 59' ' ' VAL . 1.0 OUTLIER -66.33 118.13 9.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.831 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -97.91 97.76 9.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -90.42 101.89 14.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.944 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 83.0 mt -68.6 137.14 25.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.456 ' CG2' ' HB3' ' A' ' 78' ' ' PHE . 5.3 mp -116.99 107.2 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -71.98 129.53 38.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.6 t -82.82 111.97 19.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.831 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.528 HD21 ' HB2' ' A' ' 79' ' ' LYS . 37.6 mt -78.37 151.05 77.62 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.569 0.7 . . . . 0.0 110.94 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -23.82 30.36 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.656 2.237 . . . . 0.0 112.396 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -86.29 49.52 1.81 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.7 mmm-85 39.5 49.15 1.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -145.52 158.15 43.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.456 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 88.5 m-85 -108.99 154.11 22.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.528 ' HB2' HD21 ' A' ' 73' ' ' LEU . 63.2 tttt -133.5 102.17 5.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.7 tt -95.04 110.13 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 70.61 -108.41 2.47 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.508 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -118.94 23.35 11.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.731 0.301 . . . . 0.0 110.828 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -131.95 163.98 27.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -136.46 143.23 43.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.594 ' CD2' ' CB ' ' A' ' 91' ' ' LEU . 97.5 m-85 -128.69 -179.37 5.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.857 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -81.23 -27.32 35.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 1.002 ' CE1' ' HB2' ' A' ' 90' ' ' ALA . 3.1 p80 -175.84 -174.99 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.536 ' HB3' ' CH2' ' A' ' 21' ' ' TRP . 3.8 mm? -57.16 -60.19 10.41 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.627 0.727 . . . . 0.0 110.948 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 54.0 Cg_endo -69.72 8.49 0.75 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.688 2.259 . . . . 0.0 112.328 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 1.002 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -105.93 -16.63 14.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.111 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.594 ' CB ' ' CD2' ' A' ' 85' ' ' PHE . 2.7 pp -100.99 -40.04 7.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.0 mt -63.65 -37.2 86.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.947 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -73.18 -26.17 61.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -82.59 -25.74 32.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.444 ' CE1' HD23 ' A' ' 100' ' ' LEU . 6.8 m-85 -81.31 -17.03 50.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.6 mttm -49.22 -21.9 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 48.6 pt -111.97 -32.26 2.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.507 ' O ' HG22 ' A' ' 104' ' ' THR . 62.6 m170 -86.63 146.39 26.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.657 ' CD2' HG23 ' A' ' 104' ' ' THR . 2.2 m-85 -101.64 114.65 28.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.444 HD23 ' CE1' ' A' ' 95' ' ' TYR . 5.7 mt -51.84 -66.84 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.957 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -117.94 -67.74 0.97 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.588 HG22 ' HG3' ' A' ' 61' ' ' GLU . 12.9 t -130.68 -3.88 4.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 9.7 t -146.09 175.91 10.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.188 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.657 HG23 ' CD2' ' A' ' 99' ' ' TYR . 81.7 p -116.03 177.29 4.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.125 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.0 mt -86.27 114.5 23.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 24.4 mm -93.16 -70.28 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -149.46 144.09 17.52 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.588 0.709 . . . . 0.0 110.905 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 138.21 37.24 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -50.49 150.9 4.34 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.575 0.703 . . . . 0.0 111.134 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 148.82 65.77 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.66 2.24 . . . . 0.0 112.374 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.921 . . . . . . . . 0 0 . 1 stop_ save_