data_2jt8_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 2jt8 _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 ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.85 0.357 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.5 tp -164.54 -36.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.186 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -98.3 -30.53 12.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.961 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.64 -12.19 61.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -87.96 -46.26 9.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.76 -37.75 88.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.2 p -51.52 -30.64 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -59.52 -40.12 86.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -107.68 10.77 28.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 tp -120.6 140.02 52.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.9 t -92.64 130.8 38.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.152 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -67.45 -18.25 65.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.67 -26.21 31.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -55.42 -31.02 61.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.41 -39.03 56.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -81.26 -22.99 38.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -65.26 -52.76 52.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -89.93 16.77 7.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.91 -27.26 36.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.927 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.27 -58.53 5.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.07 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.08 -25.8 65.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -75.27 -48.21 24.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.3 -30.37 69.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.5 mt -79.63 -25.18 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -85.02 -28.97 25.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.1 m -97.04 25.53 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.6 -37.98 63.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -98.99 -21.07 16.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.539 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.92 126.56 30.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.745 0.307 . . . . 0.0 111.118 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -88.5 -31.32 18.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -104.24 24.36 11.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.825 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 66.33 25.39 72.45 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 92.4 p -80.9 108.51 14.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.83 0.348 . . . . 0.0 110.881 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -147.5 -179.09 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.166 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.48 135.78 35.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.819 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.8 p -75.61 -27.1 58.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.129 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.87 103.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -92.5 -56.36 3.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.839 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.6 mt -71.29 -46.24 61.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.92 -25.91 39.33 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.5 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.78 -50.33 25.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.1 m -70.63 -26.68 28.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.13 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -45.33 39.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -74.07 -27.84 61.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 9.1 mtt -56.94 -27.92 61.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.2 mt -70.08 -18.95 63.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.969 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 79.4 46.81 7.81 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -94.49 -171.72 2.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.821 0.343 . . . . 0.0 110.899 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -53.0 160.49 1.5 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.609 0.719 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 142.33 47.47 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.723 2.282 . . . . 0.0 112.298 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.503 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.88 -58.9 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.563 0.697 . . . . 0.0 111.17 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 53' ' ' THR . 53.0 Cg_endo -69.79 -14.62 36.24 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.648 2.232 . . . . 0.0 112.316 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.75 -35.03 65.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.927 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -79.54 -30.38 41.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.4 mt -60.11 -26.98 66.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -72.31 -24.51 61.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -75.44 -50.03 17.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 19.8 ptp -58.59 -42.04 87.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 22.1 pt -77.31 -23.61 14.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.137 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.53 -38.88 64.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -125.88 37.58 4.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.9 p -56.26 -25.51 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.14 103.3 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -86.71 -37.14 18.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -71.61 -10.66 60.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 64.81 61.66 5.67 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 p -105.6 -43.69 4.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.903 0.382 . . . . 0.0 110.801 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 130.47 -29.71 3.58 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.54 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.1 t -150.45 171.04 17.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.802 0.334 . . . . 0.0 111.163 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.0 t -112.6 124.87 69.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.066 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -81.75 155.87 25.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -55.66 -39.38 70.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -66.26 -42.75 88.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.944 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -55.23 -30.1 59.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -74.48 -43.51 55.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.27 -52.09 66.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 12.6 m -59.26 -19.19 15.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.6 ttp -75.78 -11.05 59.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -78.59 -56.47 4.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.8 p . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.845 0.355 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 29.0 tp10 -78.19 -25.53 47.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -70.29 -33.5 71.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.7 mt -53.45 -38.99 64.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.17 -26.65 66.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.801 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -92.73 -49.84 5.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.843 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.0 mp -58.94 -37.01 75.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -51.93 -56.52 13.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.954 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.33 -25.45 57.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.4 tpt -64.22 -27.58 69.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -96.4 -21.44 17.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.841 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -77.29 59.87 1.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.946 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 32.6 mttp -67.6 -17.88 64.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -74.05 -7.78 53.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 49.7 31.36 4.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 41.4 p-10 -105.29 -14.87 15.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 106.14 -23.06 29.9 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -108.43 174.15 6.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.918 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 15.3 mm -106.75 140.37 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.089 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -108.77 163.15 13.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.9 mt -62.22 -55.53 27.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -58.16 -21.38 46.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -81.74 -53.84 5.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.851 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.7 pp -68.32 -49.02 63.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -61.97 -27.36 68.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -50.89 -30.23 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.209 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 5.6 ttp -60.39 -58.87 6.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.37 -22.91 55.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -64.73 -25.85 68.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -116.68 75.06 0.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.8 t -176.04 -37.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.189 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 104.02 33.38 4.05 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.535 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.97 168.93 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.925 0.393 . . . . 0.0 110.882 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 11.3 t -117.2 39.48 3.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 30.7 pt -131.09 165.64 30.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.58 160.58 30.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.103 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -74.69 -37.77 62.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -77.49 -23.58 50.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -56.51 -43.03 79.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.819 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.1 tp -52.72 -28.51 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -53.48 -31.1 44.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -75.25 -30.37 60.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.39 -53.8 42.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -51.99 -37.73 54.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.35 -35.13 62.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.84 -23.65 39.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -52.07 -33.1 36.6 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.531 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -51.81 156.06 1.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.838 0.352 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -162.31 -39.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -86.52 6.84 28.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 63.64 87.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -160.46 -40.2 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 109.36 16.02 11.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.423 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -154.09 165.85 34.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.822 0.344 . . . . 0.0 110.837 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 24.3 mm -86.07 139.84 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.175 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -132.76 -171.76 2.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -77.35 59.96 1.93 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.56 -34.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.875 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.936 -179.941 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 2.3 mt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.807 0.337 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -68.59 -11.01 59.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -43.47 -64.53 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 8.5 mmt -75.59 60.36 1.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.936 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.736 0.303 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -94.89 -22.03 5.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.094 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -100.26 -22.31 15.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.04 -36.6 55.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.87 -26.28 61.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.074 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.96 -44.26 40.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 66.2 t -54.86 -26.47 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -51.68 -47.78 63.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.58 -21.47 60.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -76.02 177.85 6.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.1 p -117.92 131.25 56.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -65.27 -25.69 67.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -54.95 -27.67 45.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -62.25 -32.15 72.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.86 -24.38 66.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -87.36 -24.34 24.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -87.73 -47.25 8.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.487 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -65.28 -11.39 40.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.864 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.415 ' N ' ' CD1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -88.19 3.33 49.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -113.26 -45.52 3.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.95 -29.85 55.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.041 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -51.9 -31.74 29.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.74 -42.27 99.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 26.2 mt -83.29 -32.69 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.099 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -49.73 75.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.5 m -95.36 26.3 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.3 tt -52.08 -29.97 23.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.972 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -94.26 -19.46 33.0 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.512 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -102.81 115.81 31.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.764 0.316 . . . . 0.0 111.044 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -93.39 -25.37 17.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.24 -14.75 61.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.881 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.32 28.47 59.89 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.503 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.13 100.56 11.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.369 . . . . 0.0 110.858 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.2 tt -164.28 143.52 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.161 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.3 p -93.45 168.79 10.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 20.8 m -80.17 -27.08 39.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -51.76 103.2 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.69 -24.93 18.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.24 -35.26 49.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.11 -38.46 34.9 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.477 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.0 tptt -64.89 -26.31 68.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.769 0.319 . . . . 0.0 110.816 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.7 t -54.08 -49.57 60.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.105 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 17.2 mmt -55.9 -45.68 78.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.805 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -69.22 -26.3 64.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.52 -33.15 59.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.811 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.2 mt -115.74 25.4 10.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 53.96 25.96 32.62 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.479 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -64.44 -177.13 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.855 0.36 . . . . 0.0 110.857 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -52.09 160.65 1.14 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.608 0.718 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 156.51 63.1 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.745 2.296 . . . . 0.0 112.289 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.505 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.82 -58.93 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.498 0.666 . . . . 0.0 111.088 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 53' ' ' THR . 54.0 Cg_endo -69.78 -22.44 32.0 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.656 2.237 . . . . 0.0 112.326 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -59.65 -35.43 74.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -78.27 -32.57 49.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 78.4 mt -54.67 -27.12 37.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -53.26 -28.63 28.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -64.02 -32.53 74.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -50.58 49.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 28.6 pt -67.65 -26.65 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.34 -32.97 58.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -143.0 63.36 1.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.1 p -113.65 -36.15 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.173 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -75.08 145.14 42.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -71.28 -25.83 62.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -70.86 -10.67 60.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.17 46.39 94.6 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.526 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.7 p -103.96 -27.36 12.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.891 0.376 . . . . 0.0 110.893 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 79.92 18.8 71.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.534 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.6 t -152.59 147.84 26.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.808 0.337 . . . . 0.0 111.168 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -120.72 128.56 76.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -83.86 -169.41 2.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.828 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -61.06 -30.6 70.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.7 -53.27 10.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -64.94 -33.29 75.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -56.32 -50.82 70.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.94 -37.23 86.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 80.8 t -57.67 -26.16 26.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -23.4 62.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 15.1 mmt -52.67 -30.62 32.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.789 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 18.1 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.795 0.331 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -51.74 -37.42 51.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.811 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.58 -33.32 58.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.7 mp -70.43 -25.85 63.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 m -77.77 -25.97 49.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -94.44 -40.94 9.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 6.1 mp -56.08 -32.08 63.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -57.96 -56.59 20.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.43 -24.63 59.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 3.4 tmm? -69.0 -53.0 22.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -65.07 -15.19 62.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -74.84 71.35 2.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.8 mttp -71.9 -26.11 62.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -74.0 -7.69 53.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 50.64 29.57 4.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 41.2 p-10 -100.92 -0.43 36.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.07 -23.53 29.0 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.518 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -109.22 175.88 5.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.851 0.358 . . . . 0.0 110.921 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 24.1 mm -103.19 139.75 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.103 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -109.76 165.6 11.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.4 mt -60.99 -54.81 40.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -57.66 -20.87 36.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -81.4 -54.55 5.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.94 -49.29 47.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -59.0 -27.58 65.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -50.73 -29.8 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.083 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.92 -48.92 27.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.92 -23.38 64.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.895 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -25.0 66.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -109.45 66.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.053 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 14.6 t -165.88 28.8 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.151 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 93.07 -15.12 63.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.466 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 52.12 87.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.914 0.388 . . . . 0.0 110.926 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 16.8 p -91.32 -20.49 21.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.141 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 37.5 pt -113.07 169.94 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.5 p -105.44 173.06 6.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -57.24 -26.01 60.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -66.26 -25.74 67.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -79.06 -38.64 35.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.831 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -52.67 -28.54 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.37 -42.17 98.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.87 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -77.16 -30.11 54.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.927 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.29 -59.22 4.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.937 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -40.01 92.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.814 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -53.34 -32.68 50.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.908 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -83.93 -24.44 30.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -70.86 -59.58 5.05 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.49 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -77.71 90.08 3.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.858 0.361 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 7.6 tptp -114.58 16.98 17.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -99.01 21.6 11.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.0 t30 51.56 30.46 6.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -105.32 -26.11 12.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 87.55 4.21 80.26 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -153.98 156.84 38.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.788 0.327 . . . . 0.0 110.816 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 2.5 mt -85.44 109.0 17.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.144 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -106.43 -168.53 1.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.71 61.83 1.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -174.57 -36.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 10.5 mt . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.769 0.319 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -71.52 -10.49 59.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -42.47 -65.43 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 2.6 ptp -109.83 63.37 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 t0 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.791 0.329 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -52.85 -29.91 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -95.48 -54.14 3.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -51.88 -29.64 20.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.842 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.97 -53.33 55.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.102 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.04 -37.51 72.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 91.1 t -54.06 -27.37 16.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.146 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -61.67 -18.28 58.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -122.38 -0.28 9.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.0 114.47 1.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.7 p -146.58 163.35 36.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.091 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.08 -22.88 52.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -68.84 -42.32 77.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -75.64 -31.64 59.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -68.72 -42.79 77.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -82.03 -22.91 36.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -65.3 -52.16 55.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.491 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -90.99 17.43 7.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.24 -26.17 39.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.97 -39.81 69.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.15 -49.53 23.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.089 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -52.24 -33.76 42.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.68 -38.03 69.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 36.0 mt -80.45 -29.29 12.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.39 -42.5 78.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.83 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 32.7 m -99.62 25.57 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.5 tt -52.59 -29.82 27.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.52 -27.29 36.19 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.524 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.66 88.74 5.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.752 0.311 . . . . 0.0 111.109 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.28 -26.9 65.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -73.86 -14.95 61.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.42 28.31 55.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.541 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.9 t -97.29 108.48 21.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 110.849 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.1 tt -161.59 141.99 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.099 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.53 -74.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.72 -27.14 20.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.151 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -51.9 -31.78 29.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -57.57 -35.14 69.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.5 mt -70.07 -61.96 1.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.86 -25.35 36.94 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.457 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.9 tptt -57.23 -26.36 60.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.821 0.343 . . . . 0.0 110.927 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.8 p -54.46 -30.39 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -75.6 -36.19 60.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -69.93 -32.62 71.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 9.7 ttm -56.31 -29.88 61.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.1 mt -82.65 -19.04 39.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.29 46.51 49.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.486 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -114.45 -171.35 1.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.802 0.334 . . . . 0.0 110.899 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -53.29 160.68 1.63 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.573 0.702 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 171.24 14.85 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.722 2.282 . . . . 0.0 112.303 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.5 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.91 -58.98 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.583 0.706 . . . . 0.0 111.09 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 53' ' ' THR . 53.9 Cg_endo -69.73 -10.79 29.44 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.649 2.233 . . . . 0.0 112.404 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -65.62 -31.04 71.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -69.14 -50.12 50.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.32 -27.09 61.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -52.46 -35.43 52.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.96 -30.83 61.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.59 -47.06 28.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.4 pt -58.54 -24.08 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.097 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.01 -30.2 24.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -119.61 57.71 0.9 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.6 p -116.09 -23.17 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -51.84 103.49 0.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -63.5 -23.05 67.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -70.26 -10.83 60.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 58.85 19.74 45.17 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.48 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.9 p -93.23 -26.3 17.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.861 0.363 . . . . 0.0 110.84 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.34 19.62 64.48 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.5 t -149.28 142.17 24.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.85 0.357 . . . . 0.0 111.183 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.4 p -91.34 123.84 43.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.111 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.17 -177.36 5.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -58.26 -68.56 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -65.89 -32.12 73.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -56.11 -33.05 64.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.97 -38.22 81.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -78.94 -24.23 44.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.6 t -79.84 -21.04 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -13.03 61.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -75.84 -24.1 55.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.823 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.3 m . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.147 179.949 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.786 0.327 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -51.42 -47.02 63.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.38 -33.06 73.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 154' ' ' LEU . 1.9 mp -67.44 -25.85 66.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 62.1 m -76.89 -34.71 57.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -86.21 -32.39 21.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.4 mp -56.39 -37.19 69.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -56.59 -56.63 18.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.62 -28.21 66.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 8.7 ttt -72.41 -28.11 62.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -96.51 -25.71 15.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -76.2 67.25 2.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -79.65 -19.25 49.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -74.09 -7.82 53.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 49.97 32.04 5.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.085 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -102.86 -18.57 15.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.816 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 109.68 -34.27 5.57 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -109.3 169.65 8.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.909 0.385 . . . . 0.0 110.89 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 12.6 mm -95.73 134.89 31.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.3 168.13 9.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 16.2 mt -55.14 -55.44 31.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.438 ' O ' HG13 ' A' ' 119' ' ' ILE . 2.2 m-20 -55.76 -20.22 14.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -87.87 -54.77 4.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.01 -45.02 78.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.879 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.2 ptpt -52.3 -24.08 6.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 115' ' ' ASP . 70.5 mt -49.15 -35.75 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.121 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 4.0 ppp? -53.4 -39.06 63.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.36 -21.69 33.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -59.25 -27.05 65.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -84.72 -48.04 9.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 41.4 p -51.8 -60.82 2.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.136 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 87.92 26.8 28.09 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.54 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -57.81 -179.51 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.925 0.393 . . . . 0.0 110.92 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.8 t -105.27 67.72 0.79 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -124.74 176.37 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 70.4 p -97.35 160.61 14.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.219 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.71 -24.7 62.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.03 -19.3 58.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.939 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.43 -29.84 70.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 11.2 tp -51.63 -29.64 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -54.19 -27.04 31.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -73.92 -34.13 64.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.5 mt -64.59 -59.01 4.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.52 -36.85 64.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 18.5 tptt -51.39 -41.21 60.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.949 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -83.87 -21.39 31.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.8 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -64.14 -61.07 6.4 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -53.76 173.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.61 -40.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 62.8 m-20 -67.36 -79.68 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 176.03 -33.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -50.8 -30.56 14.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 91.23 8.62 64.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -112.39 143.79 42.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.311 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 4.5 mt -85.13 129.63 37.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.087 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -117.39 -166.71 1.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -70.06 -29.2 66.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.26 -30.53 17.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' A' ' 97' ' ' LEU . 1.5 mt . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.815 0.341 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -69.8 -10.99 60.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -44.51 -65.53 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -78.44 -30.84 47.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.856 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 1.1 tptp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.1 t70 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.79 0.329 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.6 tp -68.41 -26.19 33.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -114.25 -24.83 8.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -72.3 -25.69 61.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.73 -37.56 67.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.89 -33.23 65.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 96.1 t -54.67 -26.41 16.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -65.8 -43.41 88.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -81.76 -25.23 35.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -55.45 133.5 50.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.4 t -146.53 142.11 27.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.166 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -55.8 -25.61 42.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -58.46 -58.29 9.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -75.62 -32.02 60.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.4 ttmt -60.83 -36.58 79.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -81.9 -22.92 36.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -65.23 -52.33 55.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.508 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -91.16 17.56 8.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.899 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.83 -27.61 40.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -102.83 -28.67 11.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.81 -26.0 53.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.086 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -64.55 -47.21 79.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.67 -30.4 71.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.4 mt -81.04 -26.51 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.075 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.4 -38.6 49.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.2 m -99.77 25.14 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.4 tp -54.47 -29.26 49.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -77.5 -46.55 9.79 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.526 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.56 131.61 46.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -91.91 -34.16 14.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.18 -14.83 58.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.11 25.09 62.51 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.448 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 p -124.64 136.76 54.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.854 0.359 . . . . 0.0 110.812 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.9 pt -149.89 152.22 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.132 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 p -109.93 -23.25 11.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.3 -49.42 61.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.15 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.6 tttm 65.95 -126.41 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -98.12 -51.17 4.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.498 ' C ' ' CD2' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -70.77 -9.45 57.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.424 ' N ' HD13 ' A' ' 41' ' ' LEU . . . -76.62 -35.5 40.76 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.441 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -76.65 -47.22 22.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.348 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.2 p -53.9 -31.17 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.139 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 10.4 mmt -75.23 -39.98 59.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 -74.76 -25.77 59.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.81 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.96 -55.6 25.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.853 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.8 16.61 18.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 53.42 41.46 63.34 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.455 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -57.67 -179.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.896 0.379 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -51.55 161.02 0.89 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.57 0.7 . . . . 0.0 110.926 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 150.87 68.32 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.661 2.24 . . . . 0.0 112.371 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.49 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.95 -58.78 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.565 0.698 . . . . 0.0 111.203 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 53' ' ' THR . 53.2 Cg_endo -69.85 -16.09 37.04 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.732 2.288 . . . . 0.0 112.283 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -61.46 -30.92 70.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.938 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -78.88 -30.07 44.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.7 mt -52.31 -34.68 48.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -60.03 -32.79 71.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.51 -27.41 58.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.4 ttm -74.79 -47.88 28.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 36.4 pt -58.54 -23.34 22.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.142 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -52.1 -30.98 28.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -146.91 78.82 1.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.0 m -130.83 -39.68 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.76 104.14 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -88.9 -30.26 19.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -73.91 -10.71 59.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.79 60.21 3.75 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.475 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 89.6 p -118.69 -36.34 3.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 110.882 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.14 -20.75 44.09 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.48 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.8 t -131.54 150.78 52.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.831 0.348 . . . . 0.0 111.146 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.4 p -85.04 124.01 39.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.062 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.03 179.61 7.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -59.3 -70.35 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -57.41 -27.15 62.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -72.34 -30.69 64.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -64.65 -31.36 72.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.49 -26.45 51.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 66.9 t -76.23 -24.93 16.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 36.6 mmm -52.9 -29.42 28.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.816 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.21 -68.23 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 8.5 p . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.091 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 CA--C 1.526 0.042 0 CA-C-O 120.859 0.362 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -51.93 -30.05 22.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -52.27 -33.45 41.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -72.83 -33.48 66.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.0 p -61.93 -44.9 95.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -60.42 -51.68 68.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.6 mp -59.31 -37.95 79.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -60.93 -56.51 20.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.7 ptt180 -70.62 -16.49 62.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.26 -36.66 24.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.814 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -87.03 -16.65 35.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -77.45 59.64 1.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.94 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.96 -11.17 60.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -74.32 -7.67 53.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 50.45 30.75 4.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 45.7 p-10 -115.0 -14.77 11.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 102.81 -20.81 42.57 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.437 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -109.01 173.77 6.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.851 0.358 . . . . 0.0 110.934 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 10.7 mm -101.65 138.32 26.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.65 153.95 23.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.834 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.7 mt -47.55 -45.62 27.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -51.01 -49.84 59.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -62.83 -25.12 68.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.825 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 48.5 mt -80.91 -50.65 9.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.76 -46.08 76.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 50.2 mt -51.28 -30.29 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.079 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 16.3 ttp -62.17 -58.93 5.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.4 pp -72.77 -22.16 60.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -61.43 -25.59 67.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -51.82 -31.37 27.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 2.0 t -119.55 -29.84 4.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 106.28 -15.82 42.48 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.519 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 50.97 -169.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.937 0.398 . . . . 0.0 110.878 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 10.9 t -123.78 28.2 6.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.18 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 40.9 pt -130.59 177.77 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 9.3 p -93.68 177.8 5.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.193 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -74.72 -29.39 61.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -59.98 -20.33 57.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -78.76 -40.36 33.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.825 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -54.14 -27.38 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -63.43 -26.6 68.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.96 -29.58 55.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.934 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.28 -59.17 4.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -51.72 -49.45 62.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -62.76 -23.45 67.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.53 -58.24 4.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -73.85 -34.59 55.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.526 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -71.39 94.9 1.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.917 0.389 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.89 -20.39 14.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -69.14 -11.53 60.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 64.31 25.64 13.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 10.7 p30 -105.61 10.83 32.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 55.18 30.25 54.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.423 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -154.12 131.81 11.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.771 0.32 . . . . 0.0 110.845 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 83.3 mt -103.09 100.12 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -95.88 -160.64 0.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.15 62.27 0.9 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -165.86 -41.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.83 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 16.2 mp0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 -179.94 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 10.9 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.775 0.322 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.61 -9.99 59.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -42.32 -65.56 0.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 4.0 ptp -124.13 49.05 1.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.826 0.346 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -93.75 -13.89 8.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -108.17 -28.37 9.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -77.19 -34.34 56.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.03 -33.57 74.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.11 -57.51 3.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.0 p -59.89 -26.64 36.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.078 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -52.45 -37.09 56.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -75.14 -29.27 60.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.64 150.98 42.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.4 t -85.43 137.97 32.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.078 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -71.89 -24.29 61.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -55.01 -50.92 67.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -75.55 -32.02 60.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -58.04 -43.03 86.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.84 -22.73 39.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.72 -52.3 57.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.508 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -92.6 19.52 7.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.67 -2.8 44.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.924 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -116.49 -32.29 5.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.48 -28.62 52.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -51.75 -35.24 42.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.05 -42.84 99.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.1 mt -70.2 -21.34 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.6 -44.58 67.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.793 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.53 ' HB ' ' HB ' ' A' ' 36' ' ' ILE . 2.1 t -91.54 15.67 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -53.07 -32.08 45.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -143.16 36.13 1.61 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.445 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.11 -168.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.747 0.308 . . . . 0.0 111.088 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -52.48 -46.81 66.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.841 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.39 -19.41 12.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 56.88 33.09 62.97 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.14 -25.62 5.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 110.877 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.53 ' HB ' ' HB ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -58.82 167.56 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.2 p -46.08 159.83 0.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.6 m -88.7 -26.25 21.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.8 mptt -50.61 101.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.03 -25.27 17.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.41 -22.89 34.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.947 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.24 -24.48 68.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.441 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.15 -50.95 69.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.808 0.337 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.5 p -72.57 -29.98 32.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.7 mmt -55.63 -48.85 74.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.894 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.21 -46.47 28.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.31 -24.79 57.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.8 mt -83.68 -19.11 35.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.943 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.78 44.64 47.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.507 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -106.45 179.03 4.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.816 0.341 . . . . 0.0 110.908 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -56.16 160.59 4.63 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.636 0.731 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 164.7 33.56 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.824 2.349 . . . . 0.0 112.304 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.501 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.0 OUTLIER 178.86 -58.88 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.564 0.697 . . . . 0.0 111.114 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 53' ' ' THR . 53.2 Cg_endo -69.84 -10.17 27.85 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.694 2.263 . . . . 0.0 112.318 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -55.59 -32.75 63.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -65.19 -30.45 71.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.9 mt -57.71 -27.06 62.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.69 -27.88 63.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.949 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -75.13 -44.45 46.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 30.5 mtt -61.78 -41.76 98.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 42.4 pt -76.44 -23.13 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -79.72 -7.62 58.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -114.51 32.57 5.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.1 m -119.2 -29.53 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -102.06 78.33 1.77 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -62.43 -17.24 58.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -103.53 -4.83 23.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 50.94 42.36 47.04 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.511 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -149.53 -42.04 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.934 0.397 . . . . 0.0 110.873 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -46.06 -49.13 14.2 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.464 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.9 t -111.67 176.01 5.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.745 0.307 . . . . 0.0 111.174 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.1 p -101.18 102.37 13.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -97.8 -179.08 4.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -56.47 -33.69 66.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.811 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.25 -53.79 9.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -60.98 -29.97 69.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -73.7 -54.21 8.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.87 -48.09 78.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 70.4 t -59.12 -24.72 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 6.5 mmt -84.22 -7.45 59.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.81 -8.33 54.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.6 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.786 0.327 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -53.95 -27.57 31.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.84 -33.26 35.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.7 mt -52.01 -30.12 23.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 p -67.29 -36.72 82.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.77 -55.85 11.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.941 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -58.66 -33.01 69.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -51.89 -57.35 9.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -75.89 -35.71 59.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -47.9 69.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -72.28 -11.67 60.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -76.98 60.9 1.88 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -54.53 -44.72 73.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -76.86 -8.83 58.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 45.62 60.18 3.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.076 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -114.99 3.33 14.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 95.78 -32.95 5.86 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.511 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -108.94 176.24 5.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.841 0.353 . . . . 0.0 110.97 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 11.6 mm -112.24 130.34 66.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.099 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.58 147.01 33.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.96 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.5 pp -49.75 -26.2 3.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.29 -42.11 85.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -82.57 -26.39 32.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 31.6 mt -72.34 -49.16 36.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -56.12 -38.69 71.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 58.2 mt -51.78 -29.83 11.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.28 -59.73 2.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.2 pp -59.42 -23.9 63.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -78.17 -16.35 57.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.73 -15.85 61.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.054 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.7 t -110.02 -40.94 4.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.076 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 57.28 33.99 66.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.09 -75.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.921 0.391 . . . . 0.0 110.864 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.7 t 178.33 82.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.149 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.1 pp -131.4 167.75 25.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 16.5 p -106.78 160.17 15.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -38.26 78.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -61.94 -18.86 61.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -70.31 -39.75 74.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -55.84 -27.85 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -25.62 67.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.19 -29.3 54.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.5 mt -55.76 -59.22 5.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.933 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 2.7 tpt -71.43 -50.14 34.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 25.6 tptt -51.0 -63.11 1.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -67.36 -24.04 65.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.912 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -51.5 -53.92 26.55 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.519 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -54.7 168.77 0.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.887 0.375 . . . . 0.0 110.827 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -157.65 -39.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -64.77 -78.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 176.52 -32.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.28 -30.92 12.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 91.56 17.38 49.45 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.578 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -134.88 154.95 51.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.797 0.332 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 2.0 mt -85.66 100.5 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -101.34 -166.28 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.778 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -75.75 61.5 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -175.36 -36.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 -179.854 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 2.0 mt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.766 0.317 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -70.05 -10.76 59.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -43.72 -65.73 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 4.2 ptp -122.84 55.85 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.797 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.409 ' O ' HG23 ' A' ' 4' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.747 0.308 . . . . 0.0 110.862 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.695 HG23 ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER 78.02 -40.19 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.137 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.695 ' CD1' HG23 ' A' ' 4' ' ' ILE . 7.1 m-85 -69.6 -30.41 68.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.94 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -77.98 -24.32 48.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.824 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.29 -38.78 65.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.09 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.16 -52.61 22.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.065 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.6 p -54.4 -26.71 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.082 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.2 tt0 -66.16 -35.31 80.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -105.63 24.68 11.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.937 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.1 tp -122.0 116.05 23.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.5 t -74.38 131.05 40.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.132 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -57.83 -23.72 54.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -54.96 -55.68 28.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -74.84 -32.56 61.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.7 ttpt -53.38 -37.35 62.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -81.12 -22.82 38.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.927 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -52.99 52.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.503 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -90.88 17.9 7.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.96 -27.36 39.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.05 -27.33 68.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.45 -25.01 59.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -80.83 -40.82 24.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.76 -28.22 60.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.3 mt -69.27 -31.8 51.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.44 -28.32 46.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.7 m -111.99 25.69 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.5 tp -54.79 -29.32 54.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -96.34 -21.65 21.72 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.476 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.99 125.77 29.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.746 0.308 . . . . 0.0 111.08 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -87.38 -31.1 20.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.04 -14.88 37.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.64 25.39 75.21 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.501 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.4 t -100.62 105.39 16.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.818 0.342 . . . . 0.0 110.866 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.1 pt -130.88 107.17 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.218 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.58 120.08 6.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.1 t -53.53 -31.26 45.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -53.11 106.39 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -52.06 -30.56 26.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.4 mt -59.59 -49.15 78.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.962 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.28 -26.67 63.32 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.466 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -50.4 57.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.815 0.341 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.2 p -64.56 -30.09 49.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.165 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 8.6 mmt -60.21 -46.52 89.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -55.77 -42.52 75.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 9.2 mtt -57.32 -26.05 60.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.95 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 mt -95.8 28.29 3.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.71 19.56 63.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 59.02 96.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.814 0.34 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -103.36 160.62 25.58 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.662 0.744 . . . . 0.0 110.856 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 115.16 3.96 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.613 2.209 . . . . 0.0 112.448 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.503 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.91 -58.86 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.542 0.687 . . . . 0.0 111.171 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 53' ' ' THR . 53.4 Cg_endo -69.72 -16.82 37.92 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.742 2.295 . . . . 0.0 112.38 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -56.31 -31.33 63.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -76.42 -34.23 58.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 82.6 mt -56.01 -28.81 58.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.973 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -54.07 -35.01 61.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.94 -31.32 63.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 7.4 ttt -74.22 -48.27 29.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 36.8 pt -61.45 -25.83 37.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.75 -31.15 36.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -109.87 32.91 4.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 72.5 t -130.1 -40.17 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -54.73 114.34 1.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -66.93 -31.74 72.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -84.97 -10.73 56.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 56.52 57.56 18.81 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 98.2 p -110.04 -41.93 4.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.893 0.378 . . . . 0.0 110.841 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 102.85 -19.71 46.11 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.516 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.9 t -125.94 151.55 46.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.853 0.359 . . . . 0.0 111.097 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.4 p -90.36 124.49 43.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.183 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -87.2 -176.96 5.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.798 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -74.9 -35.08 62.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.45 -27.23 63.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -62.85 -39.67 95.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -65.13 -43.32 92.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.786 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.98 -29.84 31.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.7 t -57.22 -23.31 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -31.59 30.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -61.08 -64.88 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.954 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.743 0.306 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -52.49 -47.93 66.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -55.14 -33.78 63.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.02 -27.68 65.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.58 -26.97 68.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -61.04 -64.16 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -56.41 -32.97 65.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.47 -55.7 28.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.805 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -25.76 66.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -26.71 56.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -96.29 -24.95 15.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -75.62 69.04 2.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -77.47 -23.3 50.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -74.24 -7.99 54.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 49.05 32.4 3.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.03 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 18.0 p30 -108.87 -1.05 19.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 91.45 -19.58 46.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.534 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -108.61 170.87 7.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.943 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 14.3 mm -105.77 138.79 29.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.146 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -110.42 150.04 29.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.1 mt -49.94 -49.05 51.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.49 -30.06 18.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -81.02 -30.49 34.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 11.7 mt -75.99 -49.04 18.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.96 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.77 -28.32 68.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 1.5 mt -56.17 -31.94 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.073 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 13.7 tpt -69.93 -61.14 1.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.4 pp -60.14 -26.86 66.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.59 -26.19 66.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.99 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -138.33 85.84 2.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 3.9 t -159.64 -40.94 0.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 103.01 33.31 4.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -97.54 178.69 5.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 0.0 110.92 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.0 t -115.62 73.2 0.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.05 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.13 167.12 26.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 18.5 p -100.92 160.74 14.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.102 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -73.7 -29.51 62.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.953 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.16 -27.99 53.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.83 -34.46 54.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 11.1 tp -52.21 -29.55 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.44 -50.43 69.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -72.14 -29.44 64.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -58.83 -59.08 6.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 15.4 tpt -50.84 -50.89 55.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp -64.09 -23.82 67.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.2 -6.61 50.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.87 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -108.77 -26.34 5.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.526 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -60.32 107.69 0.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.853 0.359 . . . . 0.0 110.809 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.31 -28.6 5.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 30.6 t30 -74.65 -7.18 52.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 64.84 42.65 4.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 28.1 p30 -117.49 -14.21 10.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 86.29 15.75 63.82 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.457 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -154.39 163.65 39.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.774 0.321 . . . . 0.0 110.897 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 23.7 mm -85.94 139.65 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -129.01 -175.04 3.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.8 61.23 1.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 179.99 -34.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.806 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 -179.916 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.812 0.339 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -70.04 -10.26 58.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -42.62 -66.19 0.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 5.2 mtm -98.46 -43.75 6.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.816 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.932 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.479 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.856 0.36 . . . . 0.0 110.847 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.479 ' CG1' ' O ' ' A' ' 3' ' ' ASP . 4.8 pt 46.42 26.62 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.166 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.419 ' CD1' HG13 ' A' ' 4' ' ' ILE . 19.4 m-30 -120.36 -23.37 6.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.89 -11.98 59.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.25 -46.91 16.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.052 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.23 -55.37 21.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.041 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.6 p -58.41 -29.08 37.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -69.49 -28.51 66.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -114.96 34.76 4.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.1 mt -76.77 113.76 14.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.3 t -114.14 131.84 56.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.184 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -55.3 -26.62 41.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -54.87 -59.22 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -75.69 -32.11 59.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.96 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.56 -22.39 55.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -87.11 -24.34 24.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -87.61 -47.56 8.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.498 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -65.01 -11.38 38.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.828 -179.855 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.416 ' N ' ' CD1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -88.37 -18.81 27.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.22 -33.02 14.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.109 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.75 -54.68 6.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.083 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -60.4 -36.15 77.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -56.25 -27.71 56.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.8 mt -82.86 -25.19 8.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.072 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.4 -26.1 23.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.1 m -95.11 25.48 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.12 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.6 tp -52.6 -43.67 65.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -85.18 -33.76 16.6 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.521 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.28 107.66 4.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.673 0.273 . . . . 0.0 111.075 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -64.18 -35.08 79.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -109.88 24.33 13.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 62.41 28.54 71.26 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.481 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.38 92.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.834 0.349 . . . . 0.0 110.937 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 9.8 tt -174.52 128.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.199 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.97 -74.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.8 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.2 t -89.87 -33.68 16.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -89.62 56.18 3.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.925 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -61.69 -35.29 77.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.6 mp -72.31 -40.88 67.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.66 -27.17 73.09 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.533 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.01 -31.22 64.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.844 0.354 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.3 t -54.97 -31.72 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.8 mmt -75.53 -38.37 59.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.65 -42.97 71.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 23.6 mtt -60.15 -25.34 65.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.8 mt -95.77 29.37 2.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.39 19.16 64.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.34 105.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -112.72 160.61 30.0 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.659 0.742 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 113.6 3.42 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.686 2.257 . . . . 0.0 112.348 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.498 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.94 -58.85 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.577 0.703 . . . . 0.0 111.204 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 53' ' ' THR . 54.2 Cg_endo -69.74 -15.73 37.3 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.377 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -55.71 -30.97 62.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -71.95 -30.4 65.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 67.8 mt -71.03 -27.08 63.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -52.06 -32.1 33.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -72.74 -34.81 67.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.832 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.79 -50.52 23.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.85 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 26.7 pt -59.73 -25.56 32.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.38 -29.38 48.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -102.45 29.36 5.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.3 t -128.14 -41.67 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -68.43 95.01 0.59 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -57.58 -25.7 60.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -70.68 -10.72 60.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 54.19 28.52 42.42 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.429 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 96.3 p -100.2 -28.37 13.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.927 0.394 . . . . 0.0 110.913 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 69.14 19.32 73.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.7 t -153.87 149.28 27.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.848 0.356 . . . . 0.0 111.117 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.3 p -102.63 122.29 54.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -85.69 -170.22 3.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -65.22 -74.05 0.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -54.51 -27.02 35.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -55.63 -30.3 60.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -56.54 -33.49 66.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.41 -24.8 61.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 51.9 t -60.25 -19.78 18.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 29.2 mmt -84.09 -7.85 59.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.7 mtp -93.36 -40.08 10.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.5 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.836 0.35 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.97 -26.55 37.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.32 -33.35 42.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.84 -26.71 36.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 38.9 p -68.01 -28.14 67.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -66.82 -61.1 2.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.2 mp -56.41 -34.34 66.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.68 -55.93 21.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -16.72 64.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -86.07 -25.73 25.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -96.4 -34.88 11.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -77.46 60.07 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -73.07 -13.09 61.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -74.07 -7.76 53.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 50.27 31.39 5.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.115 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.2 p-10 -108.48 -3.87 17.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.43 -25.14 22.2 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.538 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -108.75 170.51 7.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.929 0.395 . . . . 0.0 110.924 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 22.5 mm -100.35 139.88 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.171 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.41 149.45 29.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.6 mt -49.24 -44.71 43.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.13 -35.09 33.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -81.19 -25.43 36.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 23.8 mt -77.92 -49.54 13.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.73 -28.48 69.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 7.7 mt -52.76 -37.01 24.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -69.52 -29.26 66.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.4 -25.18 29.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -82.3 -22.62 35.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -95.27 26.73 3.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 57.6 p -125.62 -45.59 1.77 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 100.37 17.18 25.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.453 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.58 -176.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.921 0.391 . . . . 0.0 110.895 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.6 p -131.22 70.75 1.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.085 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.65 174.93 12.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.5 p -99.26 162.64 12.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -74.38 -29.34 61.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.24 -27.03 43.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -71.3 -41.89 69.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.846 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.6 -27.86 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -62.41 -33.28 74.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -72.33 -30.06 64.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.79 -58.81 5.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -54.05 -37.17 63.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -71.47 -25.34 62.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -77.66 -58.13 3.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -58.6 -30.88 66.09 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -51.5 109.87 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.919 0.39 . . . . 0.0 110.828 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -117.66 -27.97 6.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -79.25 -2.61 41.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 67.1 t30 63.49 26.08 14.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -101.35 -20.13 15.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.821 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 90.13 21.28 39.22 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -153.98 160.4 42.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.761 0.315 . . . . 0.0 110.893 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 22.5 mm -85.91 139.44 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.181 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -131.1 -173.98 3.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.37 60.42 1.55 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.964 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 179.13 -33.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.82 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.903 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.771 0.32 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -70.41 -9.69 57.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -42.16 -66.12 0.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 14.5 mmt -59.79 -39.48 85.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 1.5 mptt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.935 179.954 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.3 t70 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.8 0.333 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -50.79 -35.35 13.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -104.19 -40.26 6.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -61.49 -17.97 56.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.14 -51.42 25.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.138 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.32 -26.46 40.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 91.1 t -52.1 -40.64 30.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -63.6 -30.27 71.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -111.05 29.48 7.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.954 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 mt -56.5 128.72 37.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.1 p -118.06 131.5 56.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.151 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -68.54 -25.54 64.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.71 -26.98 47.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -59.92 -32.29 70.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -57.72 -33.81 68.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -81.33 -22.9 38.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -52.92 51.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.492 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -90.66 17.73 7.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.97 -25.9 40.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.23 -30.72 10.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.089 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.44 -27.33 58.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.079 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -75.97 -31.31 58.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.818 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -72.1 -30.13 64.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.836 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.4 mt -81.74 -38.88 16.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -30.71 71.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.9 m -106.67 26.26 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.3 tt -54.22 -34.7 61.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -94.97 -33.26 6.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.505 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.17 111.59 17.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.756 0.312 . . . . 0.0 111.075 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -79.34 -26.76 42.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.94 -14.82 59.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.827 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.93 28.06 55.19 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -98.86 118.87 36.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.839 0.352 . . . . 0.0 110.837 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.3 pt -152.26 98.57 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.105 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.0 p -179.32 -60.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.806 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 44.6 p -54.32 -41.59 69.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.163 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.01 37.57 1.94 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -68.55 -40.57 80.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.5 mt -71.97 -45.63 60.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.14 -25.22 75.91 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.494 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -33.66 66.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.9 t -56.81 -38.45 58.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.123 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.7 mmt -68.52 -28.87 67.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.9 ttm-85 -66.8 -27.08 67.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 5.4 mtt -69.19 -24.65 64.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 75.7 mt -95.41 26.6 3.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.3 17.99 59.78 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.501 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.25 101.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.755 0.312 . . . . 0.0 110.932 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -116.0 160.56 34.9 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.541 0.686 . . . . 0.0 110.998 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 114.87 3.84 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.659 2.24 . . . . 0.0 112.386 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.505 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.93 -58.86 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.559 0.695 . . . . 0.0 111.181 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 53' ' ' THR . 54.5 Cg_endo -69.75 -10.32 28.27 Favored 'Trans proline' 0 N--CA 1.466 -0.135 0 C-N-CA 122.716 2.278 . . . . 0.0 112.403 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -55.64 -41.45 73.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.957 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -79.22 -32.55 43.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.1 mt -68.08 -27.15 66.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.13 -29.96 24.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -74.32 -35.8 63.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.98 -50.53 27.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 29.5 pt -58.76 -25.0 27.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.089 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.98 -34.47 42.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.6 58.19 1.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.9 p -117.07 -27.84 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.07 105.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -72.06 -35.45 69.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.9 p30 -77.62 -10.69 59.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.24 57.21 19.48 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.475 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 45.4 p -118.83 -36.56 3.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.91 0.386 . . . . 0.0 110.84 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 92.93 -20.11 47.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.461 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.2 t -143.2 165.97 25.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.87 0.367 . . . . 0.0 111.168 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.4 p -91.94 128.71 43.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.162 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -87.05 177.5 7.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -70.43 -40.87 73.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.66 -26.34 61.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -55.48 -52.87 62.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.39 -36.15 78.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 mp -58.6 -26.52 63.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 91.3 t -62.51 -25.35 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -80.18 -26.11 39.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -25.88 60.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.899 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 19.1 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.153 179.931 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.863 0.363 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.51 -26.2 53.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -52.81 -33.65 50.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -52.53 -32.32 40.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.6 p -59.54 -47.52 85.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.839 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -69.32 -41.25 76.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -56.48 -37.99 71.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -51.99 -56.59 13.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.67 -24.77 61.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.12 -25.5 62.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.839 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -96.53 -22.87 16.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -77.03 60.49 1.84 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 45.1 mttm -66.41 -22.48 66.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.844 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -78.08 -9.08 58.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 46.53 34.39 2.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.082 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -104.43 4.67 33.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.99 -29.61 7.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.476 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -108.53 174.89 5.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.879 0.371 . . . . 0.0 110.938 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 23.7 mm -101.28 139.63 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.145 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.35 157.94 16.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.8 mt -59.22 -55.57 33.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -56.86 -21.67 31.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -81.62 -54.06 5.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.6 pp -69.61 -49.53 53.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.964 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt -60.91 -26.67 67.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.936 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -50.48 -29.79 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.1 ttt -70.23 -39.2 75.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.24 -23.21 54.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.958 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.0 -14.5 63.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -89.03 -12.64 40.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.5 t -112.3 -43.35 3.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 57.38 34.84 69.2 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.471 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.36 -76.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.915 0.388 . . . . 0.0 110.882 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -166.8 27.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 17.3 pt -120.06 148.24 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 32.5 p -105.35 175.89 5.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -74.85 -38.87 61.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.83 -35.91 46.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.2 -47.56 15.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -52.93 -27.3 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.172 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -56.67 -52.41 65.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.07 -29.88 68.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.03 -27.56 61.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 2.0 ttm -51.47 -46.04 62.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.53 -25.59 64.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -85.29 -0.58 55.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -131.1 -1.92 4.78 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.528 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 35.7 p-10 -100.38 -161.86 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.382 . . . . 0.0 110.844 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -76.21 8.55 3.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.825 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . 0.608 ' N ' HD21 ' A' ' 143' ' ' ASN . 0.9 OUTLIER 63.8 14.41 8.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.895 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -178.94 26.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -142.64 -4.27 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 50.2 27.94 12.18 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 7.4 mtt85 -138.8 134.02 32.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.35 . . . . 0.0 110.879 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 3.2 mt -92.42 98.52 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.91 178.96 7.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -76.92 62.68 2.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -171.1 -37.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.921 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.966 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.752 0.311 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -85.2 -8.01 58.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -40.25 -65.72 0.38 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -33.85 67.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.935 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.955 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.524 ' O ' HG12 ' A' ' 4' ' ' ILE . 5.6 m-20 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.748 0.309 . . . . 0.0 110.813 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.524 HG12 ' O ' ' A' ' 3' ' ' ASP . 0.2 OUTLIER 39.95 30.79 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.17 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.485 ' CG ' ' O ' ' A' ' 3' ' ' ASP . 20.0 m-85 -127.39 -69.53 0.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.46 -15.15 59.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.02 -33.0 22.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.076 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.1 -35.51 49.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.3 t -62.22 -26.13 39.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.175 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -51.15 -47.8 62.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.1 -21.31 60.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -78.02 178.01 7.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.0 t -120.47 131.21 54.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -59.14 -26.83 65.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -56.44 -27.28 56.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -56.81 -32.44 65.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.8 ttpp -58.19 -39.76 79.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.21 -22.82 38.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -64.96 -53.07 52.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.494 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -90.74 17.69 7.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.84 -26.83 40.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.71 -29.73 10.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.135 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.96 -25.19 52.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -65.25 -43.52 91.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -28.42 67.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.5 mt -82.68 -35.28 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -58.37 8.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.2 m -97.13 26.45 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 30.2 tp -51.94 -30.07 23.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -102.66 -32.62 4.73 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.496 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.1 123.99 17.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 0.0 111.05 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -93.01 -27.62 16.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.74 -14.89 59.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.814 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 60.91 27.32 66.73 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.455 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.6 t -111.2 112.93 25.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.864 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.0 pt -150.74 150.32 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.1 m -153.87 24.28 0.5 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.31 -51.25 67.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.097 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.8 mttm 59.3 -116.99 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -95.92 -64.29 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 mp -52.34 -27.05 13.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.65 -49.81 5.26 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.457 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -32.13 73.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.87 0.367 . . . . 0.0 110.951 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.4 m -75.37 -39.92 42.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.7 ptt? -76.98 -31.38 56.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.881 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -76.07 -34.92 59.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.815 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 20.0 mtt -84.24 -55.58 4.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.9 mt -68.99 -19.4 64.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 53.56 30.99 43.63 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.48 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -52.14 170.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.785 0.326 . . . . 0.0 110.918 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -51.85 160.9 1.01 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.668 0.747 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 130.44 19.31 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.711 2.274 . . . . 0.0 112.358 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.506 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.85 -58.93 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.511 0.672 . . . . 0.0 111.13 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 53' ' ' THR . 53.3 Cg_endo -69.78 -8.3 23.25 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.258 . . . . 0.0 112.31 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -55.52 -30.6 60.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -53.33 -29.9 36.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.3 mt -52.04 -29.92 23.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -62.07 -37.77 86.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -75.53 -28.55 59.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.6 -46.14 23.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 47.8 pt -58.66 -24.29 25.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.065 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -53.22 -28.63 27.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.906 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -114.93 71.97 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.9 m -124.0 -37.59 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.108 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -53.1 102.9 0.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -73.63 -36.06 65.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.0 p-10 -80.8 -10.76 59.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.9 65.48 2.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.7 p -115.99 -36.19 4.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.935 0.398 . . . . 0.0 110.913 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.43 -24.65 30.95 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.533 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.9 t -121.14 165.61 15.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.773 0.321 . . . . 0.0 111.164 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.6 p -119.25 124.28 72.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.1 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.28 -175.99 4.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -61.56 -73.56 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.02 -28.83 55.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.6 -45.96 81.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.1 -51.56 69.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.3 mp -54.13 -38.4 65.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 94.4 t -76.89 -22.9 14.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.88 -26.47 29.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -54.66 42.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 32.3 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 179.919 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.844 0.354 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -54.82 -26.68 36.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.53 -33.87 47.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.47 -26.23 41.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.977 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 57.1 p -61.79 -33.13 73.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -66.93 -63.09 1.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.3 mp -56.5 -30.96 63.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -51.93 -57.44 9.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -75.79 -31.35 59.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -30.54 22.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -96.27 -26.43 15.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -68.24 87.19 0.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.802 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.0 mttp -88.27 -24.49 23.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 39.3 m-20 -80.75 -7.92 59.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 49.35 32.41 4.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.074 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.3 p-10 -96.45 2.61 52.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.35 -28.25 10.23 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.505 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -108.89 175.95 5.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.936 0.398 . . . . 0.0 110.92 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 12.7 mm -108.5 139.34 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.173 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.85 136.16 42.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.93 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.17 -21.66 24.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -78.7 -23.68 45.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.925 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -85.24 -49.91 7.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.2 pp -64.29 -43.13 95.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -54.74 -25.52 28.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 71.2 mt -50.6 -29.92 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -61.64 1.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.1 pp -65.0 -16.87 63.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -82.84 -20.96 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.945 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.47 -70.15 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 3.5 t -51.24 -44.29 61.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.15 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 56.98 33.5 64.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.503 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -51.45 -75.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.908 0.385 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -168.99 77.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.207 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.55 159.73 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.099 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 70.2 p -106.6 160.25 15.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.148 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -75.04 -24.47 58.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -60.57 -25.85 66.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.807 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.17 -43.6 23.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.82 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -54.92 -27.3 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.181 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -63.91 -27.65 69.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.95 -29.54 55.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.54 -59.14 4.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.8 ttm -60.97 -29.23 69.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -69.22 -45.45 69.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -71.1 -47.48 57.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -52.86 -41.06 58.11 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.556 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -70.32 92.81 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.359 . . . . 0.0 110.843 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -105.27 -18.93 13.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -80.12 -6.68 58.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 63.42 80.69 0.22 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -150.35 -40.78 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 116.28 10.09 11.06 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -154.03 164.82 37.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.737 0.304 . . . . 0.0 110.908 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 13.6 mm -86.32 100.76 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.064 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.47 -170.99 2.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -74.82 -27.02 60.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.29 -12.26 35.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 5.4 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.74 0.305 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -68.62 -10.65 57.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.57 -64.68 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 8.6 mmt -76.08 60.42 1.43 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.945 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.775 0.321 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.403 HG12 ' CD1' ' A' ' 5' ' ' TYR . 0.2 OUTLIER -49.71 -28.3 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.403 ' CD1' HG12 ' A' ' 4' ' ' ILE . 21.7 m-85 -109.2 -25.39 10.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -71.59 -26.68 62.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.63 -41.78 83.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.073 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.57 -43.34 84.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.2 t -53.57 -34.43 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -60.02 -42.31 94.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -104.64 24.37 11.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.3 tp -125.38 111.36 15.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.85 148.3 22.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -52.49 -34.33 48.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -60.22 -59.05 6.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -66.9 -31.5 72.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.943 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -58.12 -22.0 48.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -87.3 -24.31 24.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.76 -46.88 9.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.506 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -65.84 -10.78 41.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.412 ' N ' ' CD1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -88.44 -13.06 41.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.45 -46.97 71.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.04 -23.62 47.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -74.62 -30.78 61.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -76.62 -27.27 55.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.844 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -84.12 -28.07 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -41.5 75.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.8 m -95.37 26.5 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.104 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.9 tt -51.89 -30.33 23.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -90.96 -21.83 34.85 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.438 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.06 124.22 35.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.742 0.306 . . . . 0.0 111.07 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -93.17 -25.65 17.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.09 -14.89 61.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.01 17.95 68.32 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.465 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.4 m -112.61 125.4 54.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.346 . . . . 0.0 110.857 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.3 pt -152.91 100.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.163 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 p -158.6 26.28 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.2 -37.11 24.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.179 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -173.33 64.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -88.57 -34.9 17.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.4 pp -69.97 -41.1 74.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.1 -25.19 67.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.476 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.81 -25.65 56.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 18.6 m -54.15 -30.52 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.12 -28.75 64.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -75.82 -34.24 60.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -26.7 38.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 75.9 mt -105.05 -19.09 13.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.66 46.67 13.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -97.32 -176.15 3.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.792 0.329 . . . . 0.0 110.927 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -72.6 160.6 82.41 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.649 0.738 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 153.69 68.67 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.692 2.261 . . . . 0.0 112.34 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.503 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.89 -58.89 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.584 0.707 . . . . 0.0 111.151 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 53' ' ' THR . 53.4 Cg_endo -69.77 -14.48 36.12 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.682 2.255 . . . . 0.0 112.338 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -55.72 -30.92 61.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -66.89 -30.26 70.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.8 mt -55.14 -27.09 42.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -51.98 -35.19 45.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -75.3 -31.23 60.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.0 -47.14 30.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 47.0 pt -58.56 -25.31 27.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -52.02 -30.05 23.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -128.67 50.64 2.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.1 p -112.07 -25.35 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.153 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.66 102.85 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -72.52 -32.69 66.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -74.67 -10.73 59.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 62.28 63.26 4.86 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 80.8 p -121.08 -34.18 3.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 110.841 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.25 -26.75 15.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.449 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.8 t -122.2 173.23 7.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.817 0.341 . . . . 0.0 111.14 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.1 t -113.38 119.17 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.13 -170.32 2.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -88.55 -28.07 20.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -66.67 -50.73 61.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.833 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -69.21 -30.23 68.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -73.47 -49.95 24.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -51.68 -43.28 62.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 14.7 p -75.35 -24.78 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.3 mtp -68.24 -17.09 64.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.84 -34.71 41.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 6.8 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.104 179.95 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.829 0.347 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.49 -40.24 92.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -69.3 -34.08 74.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.5 mt -55.43 -30.78 61.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.43 -24.11 50.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -86.27 -47.89 9.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.2 -31.86 72.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -59.6 -56.52 20.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -75.53 -25.08 56.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 13.5 tpt -70.39 -44.86 67.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -77.63 -11.72 59.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -76.58 62.86 1.99 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -67.13 -14.33 62.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -76.02 -8.57 57.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 48.86 31.95 3.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 53.8 p-10 -115.79 -13.08 11.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 105.28 -19.73 39.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.484 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -109.07 175.87 5.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.886 0.374 . . . . 0.0 110.888 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 11.7 mm -102.82 137.67 30.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.159 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -110.63 158.86 18.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 14.1 mt -53.43 -50.65 64.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.48 ' N ' ' HZ1' ' A' ' 118' ' ' LYS . 1.6 m-20 -53.47 -44.53 69.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.848 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -57.88 -54.89 41.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.9 pp -68.36 -24.65 64.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.48 ' HZ1' ' N ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -58.17 -50.59 73.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.786 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 2.4 mp -57.49 -35.52 50.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.4 tpt -62.66 -61.47 2.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.6 pp -66.87 -20.13 65.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -67.64 -25.03 65.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.22 -18.37 65.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.091 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -167.4 -65.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.179 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 89.8 -15.6 58.73 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.464 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 71.62 -70.5 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.947 0.403 . . . . 0.0 110.897 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -167.51 28.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.8 pt -93.3 167.88 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.66 177.31 4.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.159 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -68.92 -49.0 61.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -68.88 -18.97 64.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.58 -29.27 69.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.5 tt -49.3 -32.35 5.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.093 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.41 -42.99 67.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -68.79 -30.06 68.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.15 -58.88 6.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 15.8 tpt -59.59 -54.19 49.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 15.5 mmtt -51.73 -43.41 62.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -71.89 -25.53 61.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -55.54 -50.69 59.15 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.465 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -81.58 130.6 35.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.852 0.358 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.02 -11.58 9.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -67.28 -77.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 175.38 -36.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.63 -35.01 40.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 104.52 -11.69 50.59 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.455 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -112.39 157.75 20.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.827 0.346 . . . . 0.0 110.827 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 22.4 mt -88.39 138.27 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -134.32 -162.7 1.28 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -75.25 60.57 1.1 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -175.99 -36.42 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 28.5 mp0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.91 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.9 mt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.734 0.302 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -85.33 -8.33 58.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.851 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -41.14 -65.86 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 3.2 ptp -116.22 30.86 7.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.943 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.835 0.35 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 64.65 155.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.84 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.39 -57.88 3.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.5 tp -164.54 -36.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.186 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -98.3 -30.53 12.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.961 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.64 -12.19 61.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -87.96 -46.26 9.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.76 -37.75 88.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.2 p -51.52 -30.64 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -59.52 -40.12 86.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -107.68 10.77 28.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 tp -120.6 140.02 52.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.9 t -92.64 130.8 38.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.152 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -67.45 -18.25 65.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.67 -26.21 31.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -55.42 -31.02 61.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.41 -39.03 56.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -81.26 -22.99 38.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -65.26 -52.76 52.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -89.93 16.77 7.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.91 -27.26 36.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.927 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.27 -58.53 5.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.07 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.08 -25.8 65.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -75.27 -48.21 24.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.3 -30.37 69.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.5 mt -79.63 -25.18 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -85.02 -28.97 25.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.1 m -97.04 25.53 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.6 -37.98 63.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -98.99 -21.07 16.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.539 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.92 126.56 30.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.745 0.307 . . . . 0.0 111.118 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -88.5 -31.32 18.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -104.24 24.36 11.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.825 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 66.33 25.39 72.45 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 92.4 p -80.9 108.51 14.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.83 0.348 . . . . 0.0 110.881 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -147.5 -179.09 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.166 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.48 135.78 35.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.819 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.8 p -75.61 -27.1 58.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.129 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.87 103.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -92.5 -56.36 3.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.839 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.6 mt -71.29 -46.24 61.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.92 -25.91 39.33 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.5 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.78 -50.33 25.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.1 m -70.63 -26.68 28.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.13 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -45.33 39.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -74.07 -27.84 61.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 9.1 mtt -56.94 -27.92 61.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.2 mt -70.08 -18.95 63.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.969 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 79.4 46.81 7.81 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -94.49 -171.72 2.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.821 0.343 . . . . 0.0 110.899 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -53.0 160.49 1.5 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.609 0.719 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 142.33 47.47 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.723 2.282 . . . . 0.0 112.298 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.503 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.88 -58.9 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.563 0.697 . . . . 0.0 111.17 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 53' ' ' THR . 53.0 Cg_endo -69.79 -14.62 36.24 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.648 2.232 . . . . 0.0 112.316 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.75 -35.03 65.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.927 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -79.54 -30.38 41.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.4 mt -60.11 -26.98 66.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -72.31 -24.51 61.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -75.44 -50.03 17.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 19.8 ptp -58.59 -42.04 87.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 22.1 pt -77.31 -23.61 14.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.137 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.53 -38.88 64.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -125.88 37.58 4.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.9 p -56.26 -25.51 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.14 103.3 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -86.71 -37.14 18.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -71.61 -10.66 60.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 64.81 61.66 5.67 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 p -105.6 -43.69 4.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.903 0.382 . . . . 0.0 110.801 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 130.47 -29.71 3.58 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.54 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.1 t -150.45 171.04 17.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.802 0.334 . . . . 0.0 111.163 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.0 t -112.6 124.87 69.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.066 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -81.75 155.87 25.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -55.66 -39.38 70.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -66.26 -42.75 88.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.944 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -55.23 -30.1 59.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -74.48 -43.51 55.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.27 -52.09 66.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 12.6 m -59.26 -19.19 15.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.6 ttp -75.78 -11.05 59.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -78.59 -56.47 4.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.8 p -51.82 -44.07 36.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.37 -36.61 71.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.6 m 56.66 84.83 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.2 ptt? -64.3 -16.63 62.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? 69.21 -75.49 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -150.25 177.13 10.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 61.4 170.27 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.36 -35.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.16 -170.3 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.917 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -159.88 119.98 0.93 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.452 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? 63.02 165.32 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.776 0.322 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.66 168.8 10.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -68.88 -49.23 60.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 29.0 tp10 -78.19 -25.53 47.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -70.29 -33.5 71.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.7 mt -53.45 -38.99 64.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.17 -26.65 66.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.801 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -92.73 -49.84 5.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.843 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.0 mp -58.94 -37.01 75.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -51.93 -56.52 13.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.954 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.33 -25.45 57.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.4 tpt -64.22 -27.58 69.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -96.4 -21.44 17.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.841 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -77.29 59.87 1.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.946 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 32.6 mttp -67.6 -17.88 64.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -74.05 -7.78 53.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 49.7 31.36 4.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 41.4 p-10 -105.29 -14.87 15.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 106.14 -23.06 29.9 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -108.43 174.15 6.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.918 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 15.3 mm -106.75 140.37 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.089 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -108.77 163.15 13.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.9 mt -62.22 -55.53 27.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -58.16 -21.38 46.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -81.74 -53.84 5.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.851 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.7 pp -68.32 -49.02 63.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -61.97 -27.36 68.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -50.89 -30.23 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.209 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 5.6 ttp -60.39 -58.87 6.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.37 -22.91 55.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -64.73 -25.85 68.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -116.68 75.06 0.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.8 t -176.04 -37.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.189 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 104.02 33.38 4.05 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.535 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.97 168.93 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.925 0.393 . . . . 0.0 110.882 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 11.3 t -117.2 39.48 3.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 30.7 pt -131.09 165.64 30.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.58 160.58 30.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.103 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -74.69 -37.77 62.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -77.49 -23.58 50.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -56.51 -43.03 79.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.819 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.1 tp -52.72 -28.51 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -53.48 -31.1 44.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -75.25 -30.37 60.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.39 -53.8 42.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -51.99 -37.73 54.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.35 -35.13 62.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.84 -23.65 39.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -52.07 -33.1 36.6 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.531 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -51.81 156.06 1.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.838 0.352 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -162.31 -39.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -86.52 6.84 28.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 63.64 87.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -160.46 -40.2 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 109.36 16.02 11.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.423 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -154.09 165.85 34.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.822 0.344 . . . . 0.0 110.837 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.427 HG21 ' HE3' ' A' ' 153' ' ' FTR . 24.3 mm -86.07 139.84 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.175 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -132.76 -171.76 2.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -77.35 59.96 1.93 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.56 -34.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.875 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -72.63 -43.36 63.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.936 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' FTR . . . . . 0.427 ' HE3' HG21 ' A' ' 148' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 2.3 mt -73.92 -57.57 3.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -68.59 -11.01 59.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -43.47 -64.53 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 8.5 mmt -75.59 60.36 1.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.936 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -14.61 62.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 152.8 46.51 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.567 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 22.1 t -100.74 136.45 32.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.346 . . . . 0.0 111.073 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.99 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.0 mtt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.752 0.311 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -138.1 -179.87 6.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -79.57 -15.07 58.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -94.89 -22.03 5.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.094 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -100.26 -22.31 15.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.04 -36.6 55.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.87 -26.28 61.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.074 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.96 -44.26 40.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 66.2 t -54.86 -26.47 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -51.68 -47.78 63.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.58 -21.47 60.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -76.02 177.85 6.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.1 p -117.92 131.25 56.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -65.27 -25.69 67.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -54.95 -27.67 45.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -62.25 -32.15 72.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.86 -24.38 66.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -87.36 -24.34 24.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -87.73 -47.25 8.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.487 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -65.28 -11.39 40.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.864 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.415 ' N ' ' CD1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -88.19 3.33 49.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -113.26 -45.52 3.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.95 -29.85 55.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.041 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -51.9 -31.74 29.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.74 -42.27 99.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 26.2 mt -83.29 -32.69 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.099 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -49.73 75.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.5 m -95.36 26.3 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.3 tt -52.08 -29.97 23.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.972 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -94.26 -19.46 33.0 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.512 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -102.81 115.81 31.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.764 0.316 . . . . 0.0 111.044 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -93.39 -25.37 17.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.24 -14.75 61.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.881 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.32 28.47 59.89 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.503 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.13 100.56 11.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.369 . . . . 0.0 110.858 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.2 tt -164.28 143.52 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.161 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.3 p -93.45 168.79 10.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 20.8 m -80.17 -27.08 39.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -51.76 103.2 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.69 -24.93 18.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.24 -35.26 49.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.11 -38.46 34.9 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.477 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.0 tptt -64.89 -26.31 68.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.769 0.319 . . . . 0.0 110.816 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.7 t -54.08 -49.57 60.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.105 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 17.2 mmt -55.9 -45.68 78.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.805 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -69.22 -26.3 64.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.52 -33.15 59.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.811 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.2 mt -115.74 25.4 10.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 53.96 25.96 32.62 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.479 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -64.44 -177.13 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.855 0.36 . . . . 0.0 110.857 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -52.09 160.65 1.14 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.608 0.718 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 156.51 63.1 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.745 2.296 . . . . 0.0 112.289 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.505 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.82 -58.93 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.498 0.666 . . . . 0.0 111.088 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 53' ' ' THR . 54.0 Cg_endo -69.78 -22.44 32.0 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.656 2.237 . . . . 0.0 112.326 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -59.65 -35.43 74.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -78.27 -32.57 49.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 78.4 mt -54.67 -27.12 37.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -53.26 -28.63 28.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -64.02 -32.53 74.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -50.58 49.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 28.6 pt -67.65 -26.65 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.34 -32.97 58.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -143.0 63.36 1.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.1 p -113.65 -36.15 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.173 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -75.08 145.14 42.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -71.28 -25.83 62.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -70.86 -10.67 60.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.17 46.39 94.6 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.526 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.7 p -103.96 -27.36 12.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.891 0.376 . . . . 0.0 110.893 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 79.92 18.8 71.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.534 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.6 t -152.59 147.84 26.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.808 0.337 . . . . 0.0 111.168 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -120.72 128.56 76.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -83.86 -169.41 2.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.828 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -61.06 -30.6 70.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.7 -53.27 10.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -64.94 -33.29 75.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -56.32 -50.82 70.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.94 -37.23 86.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 80.8 t -57.67 -26.16 26.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -23.4 62.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 15.1 mmt -52.67 -30.62 32.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.789 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 18.1 m -59.08 -30.23 43.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -61.38 -48.18 82.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.11 -170.27 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -16.95 64.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.1 179.85 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -119.26 -175.61 2.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -60.77 149.76 34.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.941 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 26.2 p -173.92 53.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.22 162.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 99.17 145.51 18.6 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.47 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -102.35 46.66 0.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.771 0.32 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.6 m -113.83 -169.95 1.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.955 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -56.77 -24.24 48.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -51.74 -37.42 51.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.811 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.58 -33.32 58.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.7 mp -70.43 -25.85 63.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 m -77.77 -25.97 49.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -94.44 -40.94 9.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 6.1 mp -56.08 -32.08 63.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -57.96 -56.59 20.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.43 -24.63 59.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 3.4 tmm? -69.0 -53.0 22.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -65.07 -15.19 62.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -74.84 71.35 2.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.8 mttp -71.9 -26.11 62.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -74.0 -7.69 53.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 50.64 29.57 4.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 41.2 p-10 -100.92 -0.43 36.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.07 -23.53 29.0 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.518 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -109.22 175.88 5.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.851 0.358 . . . . 0.0 110.921 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.451 HG22 ' F ' ' A' ' 153' ' ' FTR . 24.1 mm -103.19 139.75 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.103 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -109.76 165.6 11.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.4 mt -60.99 -54.81 40.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -57.66 -20.87 36.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -81.4 -54.55 5.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.94 -49.29 47.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -59.0 -27.58 65.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -50.73 -29.8 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.083 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.92 -48.92 27.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.92 -23.38 64.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.895 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -25.0 66.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -109.45 66.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.053 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 14.6 t -165.88 28.8 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.151 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 93.07 -15.12 63.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.466 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 52.12 87.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.914 0.388 . . . . 0.0 110.926 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 16.8 p -91.32 -20.49 21.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.141 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 37.5 pt -113.07 169.94 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.5 p -105.44 173.06 6.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -57.24 -26.01 60.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -66.26 -25.74 67.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -79.06 -38.64 35.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.831 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -52.67 -28.54 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.37 -42.17 98.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.87 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -77.16 -30.11 54.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.927 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.29 -59.22 4.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.937 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -40.01 92.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.814 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -53.34 -32.68 50.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.908 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -83.93 -24.44 30.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -70.86 -59.58 5.05 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.49 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -77.71 90.08 3.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.858 0.361 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 7.6 tptp -114.58 16.98 17.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -99.01 21.6 11.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.0 t30 51.56 30.46 6.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -105.32 -26.11 12.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 87.55 4.21 80.26 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -153.98 156.84 38.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.788 0.327 . . . . 0.0 110.816 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 2.5 mt -85.44 109.0 17.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.144 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -106.43 -168.53 1.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.71 61.83 1.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -174.57 -36.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.76 -36.45 31.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' FTR . . . . . 0.451 ' F ' HG22 ' A' ' 112' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 10.5 mt -72.65 -52.21 16.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -71.52 -10.49 59.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -42.47 -65.43 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 2.6 ptp -109.83 63.37 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.95 -165.41 1.22 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -71.64 -114.82 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.476 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 26.5 m -78.4 136.48 23.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.793 0.33 . . . . 0.0 111.104 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.812 0.339 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -124.41 38.05 4.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -59.9 -26.84 66.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -52.85 -29.91 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -95.48 -54.14 3.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -51.88 -29.64 20.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.842 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.97 -53.33 55.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.102 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.04 -37.51 72.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 91.1 t -54.06 -27.37 16.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.146 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -61.67 -18.28 58.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -122.38 -0.28 9.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.0 114.47 1.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.7 p -146.58 163.35 36.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.091 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.08 -22.88 52.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -68.84 -42.32 77.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -75.64 -31.64 59.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -68.72 -42.79 77.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -82.03 -22.91 36.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -65.3 -52.16 55.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.491 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -90.99 17.43 7.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.24 -26.17 39.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.97 -39.81 69.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.15 -49.53 23.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.089 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -52.24 -33.76 42.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.68 -38.03 69.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 36.0 mt -80.45 -29.29 12.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.39 -42.5 78.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.83 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 32.7 m -99.62 25.57 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.5 tt -52.59 -29.82 27.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.52 -27.29 36.19 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.524 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.66 88.74 5.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.752 0.311 . . . . 0.0 111.109 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.28 -26.9 65.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -73.86 -14.95 61.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.42 28.31 55.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.541 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.9 t -97.29 108.48 21.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 110.849 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.1 tt -161.59 141.99 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.099 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.53 -74.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.72 -27.14 20.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.151 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -51.9 -31.78 29.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -57.57 -35.14 69.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.5 mt -70.07 -61.96 1.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.86 -25.35 36.94 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.457 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.9 tptt -57.23 -26.36 60.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.821 0.343 . . . . 0.0 110.927 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.8 p -54.46 -30.39 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -75.6 -36.19 60.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -69.93 -32.62 71.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 9.7 ttm -56.31 -29.88 61.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.1 mt -82.65 -19.04 39.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.29 46.51 49.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.486 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -114.45 -171.35 1.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.802 0.334 . . . . 0.0 110.899 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -53.29 160.68 1.63 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.573 0.702 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 171.24 14.85 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.722 2.282 . . . . 0.0 112.303 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.5 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.91 -58.98 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.583 0.706 . . . . 0.0 111.09 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 53' ' ' THR . 53.9 Cg_endo -69.73 -10.79 29.44 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.649 2.233 . . . . 0.0 112.404 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -65.62 -31.04 71.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -69.14 -50.12 50.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.32 -27.09 61.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -52.46 -35.43 52.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.96 -30.83 61.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.59 -47.06 28.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.4 pt -58.54 -24.08 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.097 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.01 -30.2 24.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -119.61 57.71 0.9 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.6 p -116.09 -23.17 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -51.84 103.49 0.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -63.5 -23.05 67.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -70.26 -10.83 60.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 58.85 19.74 45.17 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.48 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.9 p -93.23 -26.3 17.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.861 0.363 . . . . 0.0 110.84 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.34 19.62 64.48 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.5 t -149.28 142.17 24.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.85 0.357 . . . . 0.0 111.183 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.4 p -91.34 123.84 43.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.111 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.17 -177.36 5.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -58.26 -68.56 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -65.89 -32.12 73.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -56.11 -33.05 64.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.97 -38.22 81.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -78.94 -24.23 44.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.6 t -79.84 -21.04 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -13.03 61.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -75.84 -24.1 55.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.823 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.3 m -59.66 -28.08 39.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.147 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -71.15 -47.42 57.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.94 -30.35 24.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -109.74 56.43 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.829 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -179.48 -34.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -110.43 150.3 29.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -179.12 98.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.71 162.49 3.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -151.61 -174.64 4.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 141.58 -176.55 21.8 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.503 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.61 -173.58 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.774 0.321 . . . . 0.0 110.945 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 m -120.29 95.45 4.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -76.9 -20.62 56.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -51.42 -47.02 63.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.38 -33.06 73.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 154' ' ' LEU . 1.9 mp -67.44 -25.85 66.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 62.1 m -76.89 -34.71 57.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -86.21 -32.39 21.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.4 mp -56.39 -37.19 69.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -56.59 -56.63 18.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.62 -28.21 66.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 8.7 ttt -72.41 -28.11 62.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -96.51 -25.71 15.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -76.2 67.25 2.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -79.65 -19.25 49.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -74.09 -7.82 53.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 49.97 32.04 5.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.085 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -102.86 -18.57 15.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.816 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 109.68 -34.27 5.57 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -109.3 169.65 8.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.909 0.385 . . . . 0.0 110.89 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 12.6 mm -95.73 134.89 31.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.3 168.13 9.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 16.2 mt -55.14 -55.44 31.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.438 ' O ' HG13 ' A' ' 119' ' ' ILE . 2.2 m-20 -55.76 -20.22 14.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -87.87 -54.77 4.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.01 -45.02 78.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.879 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.2 ptpt -52.3 -24.08 6.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 115' ' ' ASP . 70.5 mt -49.15 -35.75 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.121 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 4.0 ppp? -53.4 -39.06 63.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.36 -21.69 33.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -59.25 -27.05 65.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -84.72 -48.04 9.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 41.4 p -51.8 -60.82 2.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.136 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 87.92 26.8 28.09 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.54 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -57.81 -179.51 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.925 0.393 . . . . 0.0 110.92 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.8 t -105.27 67.72 0.79 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -124.74 176.37 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 70.4 p -97.35 160.61 14.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.219 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.71 -24.7 62.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.03 -19.3 58.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.939 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.43 -29.84 70.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 11.2 tp -51.63 -29.64 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -54.19 -27.04 31.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -73.92 -34.13 64.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.5 mt -64.59 -59.01 4.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.52 -36.85 64.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 18.5 tptt -51.39 -41.21 60.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.949 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -83.87 -21.39 31.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.8 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -64.14 -61.07 6.4 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -53.76 173.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.61 -40.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 62.8 m-20 -67.36 -79.68 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 176.03 -33.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -50.8 -30.56 14.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 91.23 8.62 64.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -112.39 143.79 42.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.311 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 4.5 mt -85.13 129.63 37.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.087 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -117.39 -166.71 1.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -70.06 -29.2 66.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.26 -30.53 17.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.37 -38.36 30.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' FTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' A' ' 97' ' ' LEU . 1.5 mt -75.78 -43.36 46.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -69.8 -10.99 60.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -44.51 -65.53 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -78.44 -30.84 47.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.856 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 1.1 tptp 63.25 105.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -55.03 -43.64 83.09 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.506 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 7.1 p -82.61 138.88 18.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.795 0.331 . . . . 0.0 111.101 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.846 0.355 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 63.71 159.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -73.17 -19.6 61.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.6 tp -68.41 -26.19 33.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -114.25 -24.83 8.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -72.3 -25.69 61.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.73 -37.56 67.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.89 -33.23 65.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 96.1 t -54.67 -26.41 16.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -65.8 -43.41 88.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -81.76 -25.23 35.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -55.45 133.5 50.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.4 t -146.53 142.11 27.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.166 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -55.8 -25.61 42.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -58.46 -58.29 9.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -75.62 -32.02 60.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.4 ttmt -60.83 -36.58 79.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -81.9 -22.92 36.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -65.23 -52.33 55.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.508 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -91.16 17.56 8.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.899 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.83 -27.61 40.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -102.83 -28.67 11.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.81 -26.0 53.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.086 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -64.55 -47.21 79.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.67 -30.4 71.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.4 mt -81.04 -26.51 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.075 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.4 -38.6 49.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.2 m -99.77 25.14 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.4 tp -54.47 -29.26 49.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -77.5 -46.55 9.79 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.526 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.56 131.61 46.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -91.91 -34.16 14.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.18 -14.83 58.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.11 25.09 62.51 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.448 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 p -124.64 136.76 54.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.854 0.359 . . . . 0.0 110.812 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.9 pt -149.89 152.22 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.132 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 p -109.93 -23.25 11.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.3 -49.42 61.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.15 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.6 tttm 65.95 -126.41 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -98.12 -51.17 4.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.498 ' C ' ' CD2' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -70.77 -9.45 57.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.424 ' N ' HD13 ' A' ' 41' ' ' LEU . . . -76.62 -35.5 40.76 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.441 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -76.65 -47.22 22.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.348 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.2 p -53.9 -31.17 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.139 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 10.4 mmt -75.23 -39.98 59.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 -74.76 -25.77 59.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.81 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.96 -55.6 25.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.853 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.8 16.61 18.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 53.42 41.46 63.34 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.455 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -57.67 -179.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.896 0.379 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -51.55 161.02 0.89 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.57 0.7 . . . . 0.0 110.926 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 150.87 68.32 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.661 2.24 . . . . 0.0 112.371 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.49 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.95 -58.78 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.565 0.698 . . . . 0.0 111.203 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 53' ' ' THR . 53.2 Cg_endo -69.85 -16.09 37.04 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.732 2.288 . . . . 0.0 112.283 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -61.46 -30.92 70.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.938 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -78.88 -30.07 44.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.7 mt -52.31 -34.68 48.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -60.03 -32.79 71.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.51 -27.41 58.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.4 ttm -74.79 -47.88 28.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 36.4 pt -58.54 -23.34 22.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.142 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -52.1 -30.98 28.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -146.91 78.82 1.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.0 m -130.83 -39.68 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.76 104.14 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -88.9 -30.26 19.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -73.91 -10.71 59.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.79 60.21 3.75 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.475 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 89.6 p -118.69 -36.34 3.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 110.882 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.14 -20.75 44.09 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.48 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.8 t -131.54 150.78 52.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.831 0.348 . . . . 0.0 111.146 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.4 p -85.04 124.01 39.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.062 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.03 179.61 7.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -59.3 -70.35 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -57.41 -27.15 62.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -72.34 -30.69 64.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -64.65 -31.36 72.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.49 -26.45 51.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 66.9 t -76.23 -24.93 16.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 36.6 mmm -52.9 -29.42 28.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.816 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.21 -68.23 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 8.5 p -63.85 -30.74 50.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.091 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.01 -48.06 70.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.5 m -86.09 -74.4 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 52.21 29.9 7.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -179.01 174.2 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -150.56 118.88 6.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -167.35 117.67 0.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.43 -34.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 63.15 166.11 0.12 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -157.89 -96.33 0.12 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.445 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -76.58 -175.41 3.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.78 0.324 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.63 95.96 5.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.815 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -76.9 -22.49 53.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -51.93 -30.05 22.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -52.27 -33.45 41.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -72.83 -33.48 66.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.0 p -61.93 -44.9 95.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -60.42 -51.68 68.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.6 mp -59.31 -37.95 79.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -60.93 -56.51 20.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.7 ptt180 -70.62 -16.49 62.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.26 -36.66 24.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.814 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -87.03 -16.65 35.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -77.45 59.64 1.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.94 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.96 -11.17 60.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -74.32 -7.67 53.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 50.45 30.75 4.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 45.7 p-10 -115.0 -14.77 11.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 102.81 -20.81 42.57 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.437 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -109.01 173.77 6.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.851 0.358 . . . . 0.0 110.934 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.469 HG13 ' F ' ' A' ' 153' ' ' FTR . 10.7 mm -101.65 138.32 26.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.65 153.95 23.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.834 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.7 mt -47.55 -45.62 27.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -51.01 -49.84 59.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -62.83 -25.12 68.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.825 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 48.5 mt -80.91 -50.65 9.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.76 -46.08 76.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 50.2 mt -51.28 -30.29 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.079 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 16.3 ttp -62.17 -58.93 5.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.4 pp -72.77 -22.16 60.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -61.43 -25.59 67.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -51.82 -31.37 27.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 2.0 t -119.55 -29.84 4.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 106.28 -15.82 42.48 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.519 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 50.97 -169.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.937 0.398 . . . . 0.0 110.878 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 10.9 t -123.78 28.2 6.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.18 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 40.9 pt -130.59 177.77 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 9.3 p -93.68 177.8 5.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.193 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -74.72 -29.39 61.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -59.98 -20.33 57.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -78.76 -40.36 33.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.825 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -54.14 -27.38 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -63.43 -26.6 68.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.96 -29.58 55.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.934 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.28 -59.17 4.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -51.72 -49.45 62.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -62.76 -23.45 67.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.53 -58.24 4.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -73.85 -34.59 55.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.526 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -71.39 94.9 1.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.917 0.389 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.89 -20.39 14.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -69.14 -11.53 60.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 64.31 25.64 13.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 10.7 p30 -105.61 10.83 32.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 55.18 30.25 54.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.423 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -154.12 131.81 11.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.771 0.32 . . . . 0.0 110.845 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 83.3 mt -103.09 100.12 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -95.88 -160.64 0.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.15 62.27 0.9 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -165.86 -41.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.83 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 16.2 mp0 -81.43 -29.98 33.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' FTR . . . . . 0.469 ' F ' HG13 ' A' ' 112' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 10.9 mt -71.79 -49.12 41.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.61 -9.99 59.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -42.32 -65.56 0.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 4.0 ptp -124.13 49.05 1.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.51 115.92 17.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 86.76 20.71 53.16 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.469 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 24.2 t -107.69 147.65 12.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.83 0.348 . . . . 0.0 111.112 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 ttm . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.742 0.306 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -114.81 54.18 0.79 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -75.51 -18.75 59.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -93.75 -13.89 8.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -108.17 -28.37 9.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -77.19 -34.34 56.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.03 -33.57 74.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.11 -57.51 3.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.0 p -59.89 -26.64 36.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.078 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -52.45 -37.09 56.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -75.14 -29.27 60.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.64 150.98 42.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.4 t -85.43 137.97 32.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.078 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -71.89 -24.29 61.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -55.01 -50.92 67.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -75.55 -32.02 60.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -58.04 -43.03 86.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.84 -22.73 39.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.72 -52.3 57.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.508 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -92.6 19.52 7.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.67 -2.8 44.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.924 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -116.49 -32.29 5.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.48 -28.62 52.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -51.75 -35.24 42.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.05 -42.84 99.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.1 mt -70.2 -21.34 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.6 -44.58 67.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.793 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.53 ' HB ' ' HB ' ' A' ' 36' ' ' ILE . 2.1 t -91.54 15.67 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -53.07 -32.08 45.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -143.16 36.13 1.61 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.445 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.11 -168.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.747 0.308 . . . . 0.0 111.088 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -52.48 -46.81 66.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.841 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.39 -19.41 12.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 56.88 33.09 62.97 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.14 -25.62 5.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 110.877 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.53 ' HB ' ' HB ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -58.82 167.56 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.2 p -46.08 159.83 0.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.6 m -88.7 -26.25 21.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.8 mptt -50.61 101.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.03 -25.27 17.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.41 -22.89 34.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.947 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.24 -24.48 68.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.441 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.15 -50.95 69.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.808 0.337 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.5 p -72.57 -29.98 32.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.7 mmt -55.63 -48.85 74.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.894 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.21 -46.47 28.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.31 -24.79 57.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.8 mt -83.68 -19.11 35.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.943 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.78 44.64 47.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.507 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -106.45 179.03 4.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.816 0.341 . . . . 0.0 110.908 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -56.16 160.59 4.63 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.636 0.731 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 164.7 33.56 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.824 2.349 . . . . 0.0 112.304 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.501 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.0 OUTLIER 178.86 -58.88 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.564 0.697 . . . . 0.0 111.114 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 53' ' ' THR . 53.2 Cg_endo -69.84 -10.17 27.85 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.694 2.263 . . . . 0.0 112.318 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -55.59 -32.75 63.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -65.19 -30.45 71.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.9 mt -57.71 -27.06 62.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.69 -27.88 63.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.949 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -75.13 -44.45 46.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 30.5 mtt -61.78 -41.76 98.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 42.4 pt -76.44 -23.13 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -79.72 -7.62 58.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -114.51 32.57 5.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.1 m -119.2 -29.53 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -102.06 78.33 1.77 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -62.43 -17.24 58.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -103.53 -4.83 23.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 50.94 42.36 47.04 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.511 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -149.53 -42.04 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.934 0.397 . . . . 0.0 110.873 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -46.06 -49.13 14.2 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.464 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.9 t -111.67 176.01 5.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.745 0.307 . . . . 0.0 111.174 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.1 p -101.18 102.37 13.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -97.8 -179.08 4.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -56.47 -33.69 66.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.811 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.25 -53.79 9.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -60.98 -29.97 69.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -73.7 -54.21 8.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.87 -48.09 78.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 70.4 t -59.12 -24.72 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 6.5 mmt -84.22 -7.45 59.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.81 -8.33 54.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.6 m -83.79 -30.19 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.3 -33.63 69.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.31 -175.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.75 39.38 0.48 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.48 68.09 4.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -52.18 165.62 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.19 -169.87 3.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 30.6 t -164.11 164.26 22.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.24 164.64 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -141.74 27.42 2.34 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.493 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -95.96 129.77 43.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.785 0.326 . . . . 0.0 110.943 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -119.13 95.76 4.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -75.58 -23.04 56.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -53.95 -27.57 31.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.84 -33.26 35.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.7 mt -52.01 -30.12 23.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 p -67.29 -36.72 82.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.77 -55.85 11.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.941 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -58.66 -33.01 69.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -51.89 -57.35 9.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -75.89 -35.71 59.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -47.9 69.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -72.28 -11.67 60.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -76.98 60.9 1.88 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -54.53 -44.72 73.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -76.86 -8.83 58.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 45.62 60.18 3.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.076 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -114.99 3.33 14.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 95.78 -32.95 5.86 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.511 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -108.94 176.24 5.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.841 0.353 . . . . 0.0 110.97 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.472 HG22 ' F ' ' A' ' 153' ' ' FTR . 11.6 mm -112.24 130.34 66.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.099 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.58 147.01 33.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.96 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.5 pp -49.75 -26.2 3.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.29 -42.11 85.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -82.57 -26.39 32.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.408 ' CD2' ' F ' ' A' ' 153' ' ' FTR . 31.6 mt -72.34 -49.16 36.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -56.12 -38.69 71.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 58.2 mt -51.78 -29.83 11.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.28 -59.73 2.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.2 pp -59.42 -23.9 63.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -78.17 -16.35 57.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.73 -15.85 61.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.054 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.7 t -110.02 -40.94 4.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.076 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 57.28 33.99 66.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.09 -75.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.921 0.391 . . . . 0.0 110.864 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.7 t 178.33 82.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.149 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.1 pp -131.4 167.75 25.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 16.5 p -106.78 160.17 15.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -38.26 78.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -61.94 -18.86 61.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -70.31 -39.75 74.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -55.84 -27.85 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -25.62 67.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.19 -29.3 54.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.5 mt -55.76 -59.22 5.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.933 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 2.7 tpt -71.43 -50.14 34.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 25.6 tptt -51.0 -63.11 1.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -67.36 -24.04 65.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.912 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -51.5 -53.92 26.55 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.519 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -54.7 168.77 0.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.887 0.375 . . . . 0.0 110.827 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -157.65 -39.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -64.77 -78.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 176.52 -32.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.28 -30.92 12.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 91.56 17.38 49.45 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.578 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -134.88 154.95 51.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.797 0.332 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 2.0 mt -85.66 100.5 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -101.34 -166.28 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.778 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -75.75 61.5 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -175.36 -36.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -76.32 -38.6 55.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' FTR . . . . . 0.472 ' F ' HG22 ' A' ' 112' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 2.0 mt -76.09 -51.91 11.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.998 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -70.05 -10.76 59.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -43.72 -65.73 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 4.2 ptp -122.84 55.85 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.797 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -15.03 61.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -80.89 -68.18 1.49 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.468 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 34.9 t -105.92 128.48 60.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 111.152 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 ttp . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.807 0.337 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -52.89 165.84 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.409 ' O ' HG23 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -63.99 -57.08 10.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.695 HG23 ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER 78.02 -40.19 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.137 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.695 ' CD1' HG23 ' A' ' 4' ' ' ILE . 7.1 m-85 -69.6 -30.41 68.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.94 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -77.98 -24.32 48.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.824 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.29 -38.78 65.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.09 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.16 -52.61 22.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.065 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.6 p -54.4 -26.71 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.082 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.2 tt0 -66.16 -35.31 80.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -105.63 24.68 11.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.937 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.1 tp -122.0 116.05 23.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.5 t -74.38 131.05 40.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.132 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -57.83 -23.72 54.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -54.96 -55.68 28.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -74.84 -32.56 61.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.7 ttpt -53.38 -37.35 62.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -81.12 -22.82 38.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.927 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -52.99 52.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.503 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -90.88 17.9 7.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.96 -27.36 39.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.05 -27.33 68.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.45 -25.01 59.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -80.83 -40.82 24.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.76 -28.22 60.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.3 mt -69.27 -31.8 51.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.44 -28.32 46.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.7 m -111.99 25.69 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.5 tp -54.79 -29.32 54.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -96.34 -21.65 21.72 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.476 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.99 125.77 29.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.746 0.308 . . . . 0.0 111.08 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -87.38 -31.1 20.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.04 -14.88 37.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.64 25.39 75.21 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.501 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.4 t -100.62 105.39 16.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.818 0.342 . . . . 0.0 110.866 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.1 pt -130.88 107.17 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.218 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.58 120.08 6.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.1 t -53.53 -31.26 45.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -53.11 106.39 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -52.06 -30.56 26.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.4 mt -59.59 -49.15 78.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.962 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.28 -26.67 63.32 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.466 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -50.4 57.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.815 0.341 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.2 p -64.56 -30.09 49.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.165 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 8.6 mmt -60.21 -46.52 89.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -55.77 -42.52 75.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 9.2 mtt -57.32 -26.05 60.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.95 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 mt -95.8 28.29 3.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.71 19.56 63.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 59.02 96.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.814 0.34 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -103.36 160.62 25.58 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.662 0.744 . . . . 0.0 110.856 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 115.16 3.96 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.613 2.209 . . . . 0.0 112.448 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.503 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.91 -58.86 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.542 0.687 . . . . 0.0 111.171 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 53' ' ' THR . 53.4 Cg_endo -69.72 -16.82 37.92 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.742 2.295 . . . . 0.0 112.38 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -56.31 -31.33 63.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -76.42 -34.23 58.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 82.6 mt -56.01 -28.81 58.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.973 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -54.07 -35.01 61.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.94 -31.32 63.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 7.4 ttt -74.22 -48.27 29.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 36.8 pt -61.45 -25.83 37.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.75 -31.15 36.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -109.87 32.91 4.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 72.5 t -130.1 -40.17 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -54.73 114.34 1.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -66.93 -31.74 72.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -84.97 -10.73 56.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 56.52 57.56 18.81 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 98.2 p -110.04 -41.93 4.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.893 0.378 . . . . 0.0 110.841 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 102.85 -19.71 46.11 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.516 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.9 t -125.94 151.55 46.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.853 0.359 . . . . 0.0 111.097 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.4 p -90.36 124.49 43.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.183 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -87.2 -176.96 5.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.798 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -74.9 -35.08 62.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.45 -27.23 63.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -62.85 -39.67 95.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -65.13 -43.32 92.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.786 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.98 -29.84 31.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.7 t -57.22 -23.31 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -31.59 30.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -61.08 -64.88 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.6 p -60.4 -30.51 46.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.6 mtt-85 -51.86 -48.07 64.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 69.4 -75.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.8 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 54.9 mtp 63.47 73.44 0.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -179.29 -34.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.54 -173.2 2.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -143.56 -68.13 0.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.2 163.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.95 -172.38 4.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -170.96 -167.42 31.27 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.7 pttp -118.91 40.46 3.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.761 0.315 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -120.15 -169.84 1.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -55.86 -25.6 43.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.827 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -52.49 -47.93 66.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -55.14 -33.78 63.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.02 -27.68 65.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.58 -26.97 68.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -61.04 -64.16 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -56.41 -32.97 65.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.47 -55.7 28.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.805 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -25.76 66.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -26.71 56.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -96.29 -24.95 15.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -75.62 69.04 2.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -77.47 -23.3 50.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -74.24 -7.99 54.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 49.05 32.4 3.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.03 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 18.0 p30 -108.87 -1.05 19.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 91.45 -19.58 46.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.534 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -108.61 170.87 7.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.943 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 14.3 mm -105.77 138.79 29.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.146 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -110.42 150.04 29.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.1 mt -49.94 -49.05 51.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.49 -30.06 18.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -81.02 -30.49 34.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.4 ' CD2' ' F ' ' A' ' 153' ' ' FTR . 11.7 mt -75.99 -49.04 18.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.96 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.77 -28.32 68.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 1.5 mt -56.17 -31.94 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.073 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 13.7 tpt -69.93 -61.14 1.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.4 pp -60.14 -26.86 66.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.59 -26.19 66.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.99 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -138.33 85.84 2.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 3.9 t -159.64 -40.94 0.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 103.01 33.31 4.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -97.54 178.69 5.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 0.0 110.92 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.0 t -115.62 73.2 0.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.05 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.13 167.12 26.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 18.5 p -100.92 160.74 14.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.102 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -73.7 -29.51 62.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.953 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.16 -27.99 53.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.83 -34.46 54.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 11.1 tp -52.21 -29.55 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.44 -50.43 69.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -72.14 -29.44 64.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -58.83 -59.08 6.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 15.4 tpt -50.84 -50.89 55.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp -64.09 -23.82 67.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.2 -6.61 50.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.87 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -108.77 -26.34 5.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.526 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -60.32 107.69 0.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.853 0.359 . . . . 0.0 110.809 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.31 -28.6 5.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 30.6 t30 -74.65 -7.18 52.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 64.84 42.65 4.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 28.1 p30 -117.49 -14.21 10.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 86.29 15.75 63.82 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.457 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -154.39 163.65 39.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.774 0.321 . . . . 0.0 110.897 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 23.7 mm -85.94 139.65 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -129.01 -175.04 3.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.8 61.23 1.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 179.99 -34.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.806 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -74.18 -41.72 61.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' FTR . . . . . 0.4 ' F ' ' CD2' ' A' ' 117' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 2.6 mt -75.85 -55.16 5.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.949 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -70.04 -10.26 58.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -42.62 -66.19 0.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 5.2 mtm -98.46 -43.75 6.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.816 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.95 129.51 1.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.932 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -156.88 -63.17 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.474 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 33.8 m -72.18 154.31 7.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.821 0.343 . . . . 0.0 111.117 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.961 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.707 0.289 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -113.11 161.18 17.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.479 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 0.8 OUTLIER -57.87 -56.81 17.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.479 ' CG1' ' O ' ' A' ' 3' ' ' ASP . 4.8 pt 46.42 26.62 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.166 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.419 ' CD1' HG13 ' A' ' 4' ' ' ILE . 19.4 m-30 -120.36 -23.37 6.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.89 -11.98 59.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.25 -46.91 16.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.052 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.23 -55.37 21.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.041 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.6 p -58.41 -29.08 37.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -69.49 -28.51 66.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -114.96 34.76 4.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.1 mt -76.77 113.76 14.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.3 t -114.14 131.84 56.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.184 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -55.3 -26.62 41.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -54.87 -59.22 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -75.69 -32.11 59.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.96 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.56 -22.39 55.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -87.11 -24.34 24.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -87.61 -47.56 8.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.498 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -65.01 -11.38 38.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.828 -179.855 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.416 ' N ' ' CD1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -88.37 -18.81 27.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.22 -33.02 14.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.109 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.75 -54.68 6.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.083 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -60.4 -36.15 77.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -56.25 -27.71 56.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.8 mt -82.86 -25.19 8.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.072 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.4 -26.1 23.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.1 m -95.11 25.48 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.12 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.6 tp -52.6 -43.67 65.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -85.18 -33.76 16.6 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.521 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.28 107.66 4.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.673 0.273 . . . . 0.0 111.075 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -64.18 -35.08 79.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -109.88 24.33 13.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 62.41 28.54 71.26 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.481 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.38 92.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.834 0.349 . . . . 0.0 110.937 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 9.8 tt -174.52 128.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.199 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.97 -74.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.8 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.2 t -89.87 -33.68 16.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -89.62 56.18 3.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.925 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -61.69 -35.29 77.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.6 mp -72.31 -40.88 67.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.66 -27.17 73.09 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.533 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.01 -31.22 64.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.844 0.354 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.3 t -54.97 -31.72 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.8 mmt -75.53 -38.37 59.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.65 -42.97 71.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 23.6 mtt -60.15 -25.34 65.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.8 mt -95.77 29.37 2.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.39 19.16 64.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.34 105.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -112.72 160.61 30.0 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.659 0.742 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 113.6 3.42 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.686 2.257 . . . . 0.0 112.348 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.498 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.94 -58.85 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.577 0.703 . . . . 0.0 111.204 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 53' ' ' THR . 54.2 Cg_endo -69.74 -15.73 37.3 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.377 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -55.71 -30.97 62.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -71.95 -30.4 65.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 67.8 mt -71.03 -27.08 63.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -52.06 -32.1 33.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -72.74 -34.81 67.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.832 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.79 -50.52 23.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.85 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 26.7 pt -59.73 -25.56 32.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.38 -29.38 48.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -102.45 29.36 5.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.3 t -128.14 -41.67 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -68.43 95.01 0.59 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -57.58 -25.7 60.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -70.68 -10.72 60.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 54.19 28.52 42.42 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.429 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 96.3 p -100.2 -28.37 13.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.927 0.394 . . . . 0.0 110.913 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 69.14 19.32 73.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.7 t -153.87 149.28 27.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.848 0.356 . . . . 0.0 111.117 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.3 p -102.63 122.29 54.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -85.69 -170.22 3.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -65.22 -74.05 0.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -54.51 -27.02 35.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -55.63 -30.3 60.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -56.54 -33.49 66.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.41 -24.8 61.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 51.9 t -60.25 -19.78 18.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 29.2 mmt -84.09 -7.85 59.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.7 mtp -93.36 -40.08 10.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.5 m -61.12 -30.51 47.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.18 -33.54 70.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.82 -24.32 61.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.887 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.405 ' O ' ' C ' ' A' ' 86' ' ' LYS . 20.1 mtt -101.25 7.34 43.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 85' ' ' MET . 17.6 pttm 37.66 43.8 0.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -136.42 97.82 3.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.822 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -155.72 -176.02 5.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.66 -170.05 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.95 173.88 11.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 136.93 -159.87 24.73 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.523 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.45 153.07 30.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.28 95.66 5.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -76.85 -23.16 52.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.927 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.97 -26.55 37.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.32 -33.35 42.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.84 -26.71 36.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 38.9 p -68.01 -28.14 67.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -66.82 -61.1 2.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.2 mp -56.41 -34.34 66.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.68 -55.93 21.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -16.72 64.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -86.07 -25.73 25.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -96.4 -34.88 11.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -77.46 60.07 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -73.07 -13.09 61.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -74.07 -7.76 53.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 50.27 31.39 5.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.115 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.2 p-10 -108.48 -3.87 17.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.43 -25.14 22.2 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.538 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -108.75 170.51 7.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.929 0.395 . . . . 0.0 110.924 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 22.5 mm -100.35 139.88 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.171 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.41 149.45 29.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.6 mt -49.24 -44.71 43.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.13 -35.09 33.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -81.19 -25.43 36.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 23.8 mt -77.92 -49.54 13.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.73 -28.48 69.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 7.7 mt -52.76 -37.01 24.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -69.52 -29.26 66.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.4 -25.18 29.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -82.3 -22.62 35.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -95.27 26.73 3.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 57.6 p -125.62 -45.59 1.77 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 100.37 17.18 25.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.453 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.58 -176.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.921 0.391 . . . . 0.0 110.895 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.6 p -131.22 70.75 1.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.085 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.65 174.93 12.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.5 p -99.26 162.64 12.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -74.38 -29.34 61.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.24 -27.03 43.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -71.3 -41.89 69.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.846 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.6 -27.86 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -62.41 -33.28 74.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -72.33 -30.06 64.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.79 -58.81 5.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -54.05 -37.17 63.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -71.47 -25.34 62.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -77.66 -58.13 3.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -58.6 -30.88 66.09 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -51.5 109.87 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.919 0.39 . . . . 0.0 110.828 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -117.66 -27.97 6.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -79.25 -2.61 41.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 67.1 t30 63.49 26.08 14.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -101.35 -20.13 15.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.821 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 90.13 21.28 39.22 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -153.98 160.4 42.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.761 0.315 . . . . 0.0 110.893 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 22.5 mm -85.91 139.44 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.181 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -131.1 -173.98 3.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.37 60.42 1.55 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.964 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 179.13 -33.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.82 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -72.91 -43.83 61.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' FTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.6 mt -75.51 -55.98 5.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -70.41 -9.69 57.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -42.16 -66.12 0.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 14.5 mmt -59.79 -39.48 85.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -53.58 -75.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.935 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 52.09 72.59 0.49 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.444 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 21.5 t -78.38 122.11 32.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.816 0.341 . . . . 0.0 111.161 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.777 0.322 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.87 -50.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.831 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -58.91 -29.03 66.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -50.79 -35.35 13.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -104.19 -40.26 6.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -61.49 -17.97 56.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.14 -51.42 25.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.138 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.32 -26.46 40.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 91.1 t -52.1 -40.64 30.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -63.6 -30.27 71.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -111.05 29.48 7.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.954 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 mt -56.5 128.72 37.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.1 p -118.06 131.5 56.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.151 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -68.54 -25.54 64.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.71 -26.98 47.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -59.92 -32.29 70.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -57.72 -33.81 68.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -81.33 -22.9 38.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -52.92 51.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.492 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -90.66 17.73 7.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.97 -25.9 40.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.23 -30.72 10.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.089 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.44 -27.33 58.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.079 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -75.97 -31.31 58.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.818 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -72.1 -30.13 64.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.836 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.4 mt -81.74 -38.88 16.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -30.71 71.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.9 m -106.67 26.26 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.3 tt -54.22 -34.7 61.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -94.97 -33.26 6.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.505 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.17 111.59 17.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.756 0.312 . . . . 0.0 111.075 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -79.34 -26.76 42.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.94 -14.82 59.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.827 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.93 28.06 55.19 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -98.86 118.87 36.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.839 0.352 . . . . 0.0 110.837 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.3 pt -152.26 98.57 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.105 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.0 p -179.32 -60.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.806 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 44.6 p -54.32 -41.59 69.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.163 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.01 37.57 1.94 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -68.55 -40.57 80.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.5 mt -71.97 -45.63 60.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.14 -25.22 75.91 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.494 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -33.66 66.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.9 t -56.81 -38.45 58.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.123 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.7 mmt -68.52 -28.87 67.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.9 ttm-85 -66.8 -27.08 67.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 5.4 mtt -69.19 -24.65 64.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 75.7 mt -95.41 26.6 3.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.3 17.99 59.78 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.501 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.25 101.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.755 0.312 . . . . 0.0 110.932 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -116.0 160.56 34.9 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.541 0.686 . . . . 0.0 110.998 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 114.87 3.84 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.659 2.24 . . . . 0.0 112.386 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.505 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.93 -58.86 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.559 0.695 . . . . 0.0 111.181 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 53' ' ' THR . 54.5 Cg_endo -69.75 -10.32 28.27 Favored 'Trans proline' 0 N--CA 1.466 -0.135 0 C-N-CA 122.716 2.278 . . . . 0.0 112.403 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -55.64 -41.45 73.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.957 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -79.22 -32.55 43.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.1 mt -68.08 -27.15 66.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.13 -29.96 24.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -74.32 -35.8 63.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.98 -50.53 27.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 29.5 pt -58.76 -25.0 27.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.089 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.98 -34.47 42.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.6 58.19 1.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.9 p -117.07 -27.84 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.07 105.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -72.06 -35.45 69.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.9 p30 -77.62 -10.69 59.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.24 57.21 19.48 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.475 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 45.4 p -118.83 -36.56 3.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.91 0.386 . . . . 0.0 110.84 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 92.93 -20.11 47.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.461 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.2 t -143.2 165.97 25.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.87 0.367 . . . . 0.0 111.168 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.4 p -91.94 128.71 43.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.162 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -87.05 177.5 7.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -70.43 -40.87 73.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.66 -26.34 61.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -55.48 -52.87 62.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.39 -36.15 78.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 mp -58.6 -26.52 63.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 91.3 t -62.51 -25.35 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -80.18 -26.11 39.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -25.88 60.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.899 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 19.1 m -53.07 -28.97 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.153 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -70.66 -46.84 62.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.35 -30.74 52.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.28 91.75 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.25 59.58 1.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -125.36 171.17 10.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.985 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.91 -175.59 4.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.822 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 69.12 -76.07 0.06 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? 56.26 92.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.939 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 106.17 116.9 4.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.609 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -167.46 29.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.78 0.324 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.05 -170.21 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -66.41 -27.81 68.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.51 -26.2 53.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -52.81 -33.65 50.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -52.53 -32.32 40.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.6 p -59.54 -47.52 85.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.839 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -69.32 -41.25 76.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -56.48 -37.99 71.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -51.99 -56.59 13.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.67 -24.77 61.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.12 -25.5 62.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.839 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -96.53 -22.87 16.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -77.03 60.49 1.84 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 45.1 mttm -66.41 -22.48 66.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.844 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -78.08 -9.08 58.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 46.53 34.39 2.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.082 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -104.43 4.67 33.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.99 -29.61 7.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.476 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -108.53 174.89 5.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.879 0.371 . . . . 0.0 110.938 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.46 HG22 ' F ' ' A' ' 153' ' ' FTR . 23.7 mm -101.28 139.63 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.145 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.35 157.94 16.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.8 mt -59.22 -55.57 33.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -56.86 -21.67 31.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -81.62 -54.06 5.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.6 pp -69.61 -49.53 53.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.964 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt -60.91 -26.67 67.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.936 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -50.48 -29.79 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.1 ttt -70.23 -39.2 75.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.24 -23.21 54.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.958 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.0 -14.5 63.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -89.03 -12.64 40.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.5 t -112.3 -43.35 3.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 57.38 34.84 69.2 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.471 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.36 -76.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.915 0.388 . . . . 0.0 110.882 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -166.8 27.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 17.3 pt -120.06 148.24 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 32.5 p -105.35 175.89 5.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -74.85 -38.87 61.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.83 -35.91 46.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.2 -47.56 15.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -52.93 -27.3 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.172 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -56.67 -52.41 65.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.07 -29.88 68.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.03 -27.56 61.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 2.0 ttm -51.47 -46.04 62.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.53 -25.59 64.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -85.29 -0.58 55.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -131.1 -1.92 4.78 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.528 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 35.7 p-10 -100.38 -161.86 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.382 . . . . 0.0 110.844 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -76.21 8.55 3.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.825 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.608 ' N ' HD21 ' A' ' 143' ' ' ASN . 0.9 OUTLIER 63.8 14.41 8.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.895 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -178.94 26.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -142.64 -4.27 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 50.2 27.94 12.18 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 7.4 mtt85 -138.8 134.02 32.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.35 . . . . 0.0 110.879 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 3.2 mt -92.42 98.52 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.91 178.96 7.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -76.92 62.68 2.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -171.1 -37.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.921 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -82.02 -35.03 29.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' FTR . . . . . 0.46 ' F ' HG22 ' A' ' 112' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.2 mt -73.23 -37.94 66.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -85.2 -8.01 58.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -40.25 -65.72 0.38 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -33.85 67.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.935 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -76.3 77.1 3.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 129.52 36.16 0.42 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.522 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 20.3 m -67.59 162.85 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.78 0.324 . . . . 0.0 111.139 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.9 mtp . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.875 0.369 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -172.8 -170.98 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.524 ' O ' HG12 ' A' ' 4' ' ' ILE . 5.6 m-20 -81.24 -57.01 3.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.813 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.524 HG12 ' O ' ' A' ' 3' ' ' ASP . 0.2 OUTLIER 39.95 30.79 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.17 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.485 ' CG ' ' O ' ' A' ' 3' ' ' ASP . 20.0 m-85 -127.39 -69.53 0.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.46 -15.15 59.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.02 -33.0 22.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.076 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.1 -35.51 49.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.3 t -62.22 -26.13 39.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.175 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -51.15 -47.8 62.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.1 -21.31 60.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -78.02 178.01 7.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.0 t -120.47 131.21 54.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -59.14 -26.83 65.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -56.44 -27.28 56.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -56.81 -32.44 65.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.8 ttpp -58.19 -39.76 79.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.21 -22.82 38.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -64.96 -53.07 52.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.494 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -90.74 17.69 7.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.84 -26.83 40.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.71 -29.73 10.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.135 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.96 -25.19 52.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -65.25 -43.52 91.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -28.42 67.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.5 mt -82.68 -35.28 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -58.37 8.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.2 m -97.13 26.45 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 30.2 tp -51.94 -30.07 23.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -102.66 -32.62 4.73 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.496 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.1 123.99 17.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 0.0 111.05 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -93.01 -27.62 16.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.74 -14.89 59.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.814 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 60.91 27.32 66.73 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.455 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.6 t -111.2 112.93 25.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.864 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.0 pt -150.74 150.32 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.1 m -153.87 24.28 0.5 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.31 -51.25 67.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.097 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.8 mttm 59.3 -116.99 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -95.92 -64.29 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 mp -52.34 -27.05 13.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.65 -49.81 5.26 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.457 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -32.13 73.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.87 0.367 . . . . 0.0 110.951 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.4 m -75.37 -39.92 42.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.7 ptt? -76.98 -31.38 56.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.881 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -76.07 -34.92 59.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.815 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 20.0 mtt -84.24 -55.58 4.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.9 mt -68.99 -19.4 64.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 53.56 30.99 43.63 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.48 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -52.14 170.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.785 0.326 . . . . 0.0 110.918 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -51.85 160.9 1.01 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.668 0.747 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 130.44 19.31 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.711 2.274 . . . . 0.0 112.358 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.506 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.85 -58.93 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.511 0.672 . . . . 0.0 111.13 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 53' ' ' THR . 53.3 Cg_endo -69.78 -8.3 23.25 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.258 . . . . 0.0 112.31 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -55.52 -30.6 60.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -53.33 -29.9 36.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.3 mt -52.04 -29.92 23.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -62.07 -37.77 86.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -75.53 -28.55 59.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.6 -46.14 23.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 47.8 pt -58.66 -24.29 25.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.065 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -53.22 -28.63 27.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.906 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -114.93 71.97 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.9 m -124.0 -37.59 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.108 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -53.1 102.9 0.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -73.63 -36.06 65.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.0 p-10 -80.8 -10.76 59.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.9 65.48 2.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.7 p -115.99 -36.19 4.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.935 0.398 . . . . 0.0 110.913 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.43 -24.65 30.95 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.533 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.9 t -121.14 165.61 15.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.773 0.321 . . . . 0.0 111.164 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.6 p -119.25 124.28 72.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.1 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.28 -175.99 4.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -61.56 -73.56 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.02 -28.83 55.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.6 -45.96 81.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.1 -51.56 69.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.3 mp -54.13 -38.4 65.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 94.4 t -76.89 -22.9 14.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.88 -26.47 29.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -54.66 42.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 32.3 m -53.14 -32.52 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -71.11 -32.26 68.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 41.1 m -51.99 110.38 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -175.13 -35.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -146.88 179.69 7.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.931 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -94.93 123.48 38.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.18 -170.02 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.9 m 63.19 163.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.809 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -173.86 142.88 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -143.73 111.86 0.66 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.528 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.29 63.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.75 0.309 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.42 148.52 43.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -75.55 -20.69 58.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -54.82 -26.68 36.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.53 -33.87 47.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.47 -26.23 41.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.977 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 57.1 p -61.79 -33.13 73.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -66.93 -63.09 1.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.3 mp -56.5 -30.96 63.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -51.93 -57.44 9.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -75.79 -31.35 59.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -30.54 22.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -96.27 -26.43 15.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -68.24 87.19 0.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.802 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.0 mttp -88.27 -24.49 23.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 39.3 m-20 -80.75 -7.92 59.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 49.35 32.41 4.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.074 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.3 p-10 -96.45 2.61 52.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.35 -28.25 10.23 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.505 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -108.89 175.95 5.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.936 0.398 . . . . 0.0 110.92 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 12.7 mm -108.5 139.34 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.173 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.85 136.16 42.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.93 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.17 -21.66 24.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -78.7 -23.68 45.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.925 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -85.24 -49.91 7.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.2 pp -64.29 -43.13 95.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -54.74 -25.52 28.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 71.2 mt -50.6 -29.92 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -61.64 1.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.1 pp -65.0 -16.87 63.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -82.84 -20.96 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.945 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.47 -70.15 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 3.5 t -51.24 -44.29 61.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.15 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 56.98 33.5 64.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.503 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -51.45 -75.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.908 0.385 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -168.99 77.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.207 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.55 159.73 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.099 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 70.2 p -106.6 160.25 15.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.148 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -75.04 -24.47 58.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -60.57 -25.85 66.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.807 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.17 -43.6 23.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.82 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -54.92 -27.3 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.181 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -63.91 -27.65 69.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.95 -29.54 55.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.54 -59.14 4.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.8 ttm -60.97 -29.23 69.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -69.22 -45.45 69.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -71.1 -47.48 57.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -52.86 -41.06 58.11 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.556 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -70.32 92.81 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.359 . . . . 0.0 110.843 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -105.27 -18.93 13.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -80.12 -6.68 58.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 63.42 80.69 0.22 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -150.35 -40.78 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 116.28 10.09 11.06 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -154.03 164.82 37.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.737 0.304 . . . . 0.0 110.908 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 13.6 mm -86.32 100.76 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.064 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.47 -170.99 2.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -74.82 -27.02 60.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.29 -12.26 35.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.81 -47.36 15.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' FTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 5.4 mt -70.1 -58.46 3.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -68.62 -10.65 57.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.57 -64.68 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 8.6 mmt -76.08 60.42 1.43 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -137.32 33.67 2.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 52.84 32.63 41.32 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.536 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 22.7 t -66.17 137.58 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.735 0.302 . . . . 0.0 111.199 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.958 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.815 0.34 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.18 -34.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -79.32 -24.59 42.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.403 HG12 ' CD1' ' A' ' 5' ' ' TYR . 0.2 OUTLIER -49.71 -28.3 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.403 ' CD1' HG12 ' A' ' 4' ' ' ILE . 21.7 m-85 -109.2 -25.39 10.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -71.59 -26.68 62.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.63 -41.78 83.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.073 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.57 -43.34 84.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.2 t -53.57 -34.43 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -60.02 -42.31 94.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -104.64 24.37 11.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.3 tp -125.38 111.36 15.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.85 148.3 22.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -52.49 -34.33 48.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -60.22 -59.05 6.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -66.9 -31.5 72.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.943 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -58.12 -22.0 48.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -87.3 -24.31 24.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.76 -46.88 9.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.506 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -65.84 -10.78 41.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.412 ' N ' ' CD1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -88.44 -13.06 41.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.45 -46.97 71.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.04 -23.62 47.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -74.62 -30.78 61.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -76.62 -27.27 55.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.844 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -84.12 -28.07 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -41.5 75.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.8 m -95.37 26.5 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.104 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.9 tt -51.89 -30.33 23.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -90.96 -21.83 34.85 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.438 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.06 124.22 35.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.742 0.306 . . . . 0.0 111.07 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -93.17 -25.65 17.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.09 -14.89 61.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.01 17.95 68.32 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.465 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.4 m -112.61 125.4 54.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.346 . . . . 0.0 110.857 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.3 pt -152.91 100.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.163 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 p -158.6 26.28 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.2 -37.11 24.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.179 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -173.33 64.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -88.57 -34.9 17.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.4 pp -69.97 -41.1 74.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.1 -25.19 67.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.476 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.81 -25.65 56.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 18.6 m -54.15 -30.52 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.12 -28.75 64.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -75.82 -34.24 60.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -26.7 38.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 75.9 mt -105.05 -19.09 13.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.66 46.67 13.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -97.32 -176.15 3.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.792 0.329 . . . . 0.0 110.927 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -72.6 160.6 82.41 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.649 0.738 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 153.69 68.67 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.692 2.261 . . . . 0.0 112.34 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.503 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.89 -58.89 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.584 0.707 . . . . 0.0 111.151 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 53' ' ' THR . 53.4 Cg_endo -69.77 -14.48 36.12 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.682 2.255 . . . . 0.0 112.338 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -55.72 -30.92 61.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -66.89 -30.26 70.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.8 mt -55.14 -27.09 42.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -51.98 -35.19 45.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -75.3 -31.23 60.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.0 -47.14 30.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 47.0 pt -58.56 -25.31 27.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -52.02 -30.05 23.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -128.67 50.64 2.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.1 p -112.07 -25.35 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.153 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.66 102.85 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -72.52 -32.69 66.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -74.67 -10.73 59.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 62.28 63.26 4.86 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 80.8 p -121.08 -34.18 3.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 110.841 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.25 -26.75 15.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.449 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.8 t -122.2 173.23 7.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.817 0.341 . . . . 0.0 111.14 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.1 t -113.38 119.17 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.13 -170.32 2.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -88.55 -28.07 20.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -66.67 -50.73 61.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.833 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -69.21 -30.23 68.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -73.47 -49.95 24.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -51.68 -43.28 62.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 14.7 p -75.35 -24.78 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.3 mtp -68.24 -17.09 64.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.84 -34.71 41.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 6.8 p -52.96 -32.25 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.104 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 62.2 mtp85 -53.85 -41.44 67.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.9 m -57.61 -67.9 0.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.46 -34.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.04 178.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -105.29 -174.7 2.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -107.63 130.63 54.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -162.88 -171.67 2.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -148.37 163.79 36.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 152.07 136.37 2.41 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.469 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -136.69 179.22 6.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.775 0.321 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 m -97.19 172.29 7.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -73.6 -28.05 61.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.49 -40.24 92.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -69.3 -34.08 74.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.5 mt -55.43 -30.78 61.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.43 -24.11 50.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -86.27 -47.89 9.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.2 -31.86 72.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -59.6 -56.52 20.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -75.53 -25.08 56.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 13.5 tpt -70.39 -44.86 67.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -77.63 -11.72 59.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -76.58 62.86 1.99 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -67.13 -14.33 62.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -76.02 -8.57 57.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 48.86 31.95 3.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 53.8 p-10 -115.79 -13.08 11.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 105.28 -19.73 39.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.484 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -109.07 175.87 5.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.886 0.374 . . . . 0.0 110.888 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.463 HG22 ' F ' ' A' ' 153' ' ' FTR . 11.7 mm -102.82 137.67 30.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.159 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -110.63 158.86 18.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 14.1 mt -53.43 -50.65 64.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.48 ' N ' ' HZ1' ' A' ' 118' ' ' LYS . 1.6 m-20 -53.47 -44.53 69.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.848 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -57.88 -54.89 41.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.9 pp -68.36 -24.65 64.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.48 ' HZ1' ' N ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -58.17 -50.59 73.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.786 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 2.4 mp -57.49 -35.52 50.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.4 tpt -62.66 -61.47 2.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.6 pp -66.87 -20.13 65.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -67.64 -25.03 65.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.22 -18.37 65.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.091 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -167.4 -65.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.179 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 89.8 -15.6 58.73 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.464 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 71.62 -70.5 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.947 0.403 . . . . 0.0 110.897 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -167.51 28.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.8 pt -93.3 167.88 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.66 177.31 4.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.159 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -68.92 -49.0 61.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -68.88 -18.97 64.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.58 -29.27 69.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.5 tt -49.3 -32.35 5.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.093 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.41 -42.99 67.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -68.79 -30.06 68.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.15 -58.88 6.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 15.8 tpt -59.59 -54.19 49.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 15.5 mmtt -51.73 -43.41 62.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -71.89 -25.53 61.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -55.54 -50.69 59.15 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.465 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -81.58 130.6 35.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.852 0.358 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.02 -11.58 9.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -67.28 -77.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 175.38 -36.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.63 -35.01 40.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 104.52 -11.69 50.59 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.455 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -112.39 157.75 20.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.827 0.346 . . . . 0.0 110.827 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 22.4 mt -88.39 138.27 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -134.32 -162.7 1.28 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -75.25 60.57 1.1 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -175.99 -36.42 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 28.5 mp0 -81.27 -34.57 31.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' FTR . . . . . 0.463 ' F ' HG22 ' A' ' 112' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.9 mt -75.89 -36.39 59.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.934 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -85.33 -8.33 58.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.851 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -41.14 -65.86 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 3.2 ptp -116.22 30.86 7.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.59 -167.12 2.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.943 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -147.0 20.72 1.59 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.502 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 39.0 t -97.87 145.42 9.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.8 0.333 . . . . 0.0 111.106 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.85 0.357 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.545 HG23 ' CD1' ' A' ' 5' ' ' TYR . 2.5 tp -164.54 -36.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.186 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.545 ' CD1' HG23 ' A' ' 4' ' ' ILE . 1.4 m-85 -98.3 -30.53 12.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.961 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.479 ' O ' HG12 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -70.64 -12.19 61.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -87.96 -46.26 9.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.564 ' HB2' ' CG2' ' A' ' 82' ' ' VAL . . . -64.76 -37.75 88.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.479 HG12 ' O ' ' A' ' 6' ' ' LYS . 8.2 p -51.52 -30.64 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -59.52 -40.12 86.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -107.68 10.77 28.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.595 HD21 ' OE1' ' A' ' 16' ' ' GLN . 8.2 tp -120.6 140.02 52.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.537 ' N ' HD12 ' A' ' 12' ' ' LEU . 9.9 t -92.64 130.8 38.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.152 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -67.45 -18.25 65.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.67 -26.21 31.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.595 ' OE1' HD21 ' A' ' 12' ' ' LEU . 4.6 pt20 -55.42 -31.02 61.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.41 -39.03 56.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -81.26 -22.99 38.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -65.26 -52.76 52.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.52 ' CZ ' HD13 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -89.93 16.77 7.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.91 -27.26 36.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.927 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.27 -58.53 5.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.07 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.08 -25.8 65.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.515 ' O ' HG22 ' A' ' 28' ' ' VAL . 28.2 t80 -75.27 -48.21 24.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.3 -30.37 69.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.5 mt -79.63 -25.18 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -85.02 -28.97 25.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.567 HG12 HG23 ' A' ' 36' ' ' ILE . 34.1 m -97.04 25.53 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.6 -37.98 63.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -98.99 -21.07 16.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.539 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.434 ' HB1' ' H ' ' A' ' 35' ' ' SER . . . -78.92 126.56 30.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.745 0.307 . . . . 0.0 111.118 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -88.5 -31.32 18.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -104.24 24.36 11.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.825 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 66.33 25.39 72.45 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.434 ' H ' ' HB1' ' A' ' 31' ' ' ALA . 92.4 p -80.9 108.51 14.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.83 0.348 . . . . 0.0 110.881 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.567 HG23 HG12 ' A' ' 28' ' ' VAL . 1.0 OUTLIER -147.5 -179.09 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.166 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.48 135.78 35.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.819 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.8 p -75.61 -27.1 58.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.129 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.87 103.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -92.5 -56.36 3.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.839 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.6 mt -71.29 -46.24 61.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.92 -25.91 39.33 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.5 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.78 -50.33 25.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.1 m -70.63 -26.68 28.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.13 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -45.33 39.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -74.07 -27.84 61.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 9.1 mtt -56.94 -27.92 61.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.2 mt -70.08 -18.95 63.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.969 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 79.4 46.81 7.81 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -94.49 -171.72 2.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.821 0.343 . . . . 0.0 110.899 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -53.0 160.49 1.5 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.609 0.719 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 142.33 47.47 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.723 2.282 . . . . 0.0 112.298 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.517 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.88 -58.9 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.563 0.697 . . . . 0.0 111.17 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 53' ' ' THR . 53.0 Cg_endo -69.79 -14.62 36.24 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.648 2.232 . . . . 0.0 112.316 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.75 -35.03 65.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.927 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -79.54 -30.38 41.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.4 mt -60.11 -26.98 66.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -72.31 -24.51 61.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -75.44 -50.03 17.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.423 ' HG3' HG23 ' A' ' 61' ' ' ILE . 19.8 ptp -58.59 -42.04 87.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.423 HG23 ' HG3' ' A' ' 60' ' ' MET . 22.1 pt -77.31 -23.61 14.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.137 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.53 -38.88 64.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -125.88 37.58 4.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.9 p -56.26 -25.51 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.14 103.3 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -86.71 -37.14 18.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -71.61 -10.66 60.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 64.81 61.66 5.67 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 p -105.6 -43.69 4.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.903 0.382 . . . . 0.0 110.801 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 130.47 -29.71 3.58 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.54 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.1 t -150.45 171.04 17.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.802 0.334 . . . . 0.0 111.163 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.0 t -112.6 124.87 69.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.066 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -81.75 155.87 25.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -55.66 -39.38 70.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -66.26 -42.75 88.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.944 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -55.23 -30.1 59.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -74.48 -43.51 55.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.52 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 1.0 OUTLIER -57.27 -52.09 66.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.536 HG12 ' HB3' ' A' ' 5' ' ' TYR . 12.6 m -59.26 -19.19 15.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.6 ttp -75.78 -11.05 59.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -78.59 -56.47 4.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.564 ' CG2' ' HB2' ' A' ' 8' ' ' ALA . 2.8 p . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.845 0.355 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 29.0 tp10 -78.19 -25.53 47.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -70.29 -33.5 71.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.7 mt -53.45 -38.99 64.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.17 -26.65 66.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.801 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -92.73 -49.84 5.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.843 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.0 mp -58.94 -37.01 75.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -51.93 -56.52 13.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.954 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.33 -25.45 57.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.4 tpt -64.22 -27.58 69.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -96.4 -21.44 17.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.841 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -77.29 59.87 1.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.946 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 32.6 mttp -67.6 -17.88 64.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -74.05 -7.78 53.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 49.7 31.36 4.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 41.4 p-10 -105.29 -14.87 15.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 106.14 -23.06 29.9 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -108.43 174.15 6.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.918 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.406 ' HB ' HG13 ' A' ' 148' ' ' ILE . 15.3 mm -106.75 140.37 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.089 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -108.77 163.15 13.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.9 mt -62.22 -55.53 27.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -58.16 -21.38 46.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -81.74 -53.84 5.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.851 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.525 HD21 ' HG3' ' A' ' 137' ' ' MET . 1.7 pp -68.32 -49.02 63.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.602 ' CB ' HG21 ' A' ' 133' ' ' ILE . 8.5 ptpt -61.97 -27.36 68.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -50.89 -30.23 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.209 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 5.6 ttp -60.39 -58.87 6.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.715 ' CD2' HD13 ' A' ' 133' ' ' ILE . 0.8 OUTLIER -58.37 -22.91 55.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -64.73 -25.85 68.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -116.68 75.06 0.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.8 t -176.04 -37.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.189 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 104.02 33.38 4.05 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.535 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.97 168.93 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.925 0.393 . . . . 0.0 110.882 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 11.3 t -117.2 39.48 3.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 30.7 pt -131.09 165.64 30.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.58 160.58 30.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.103 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.673 ' O ' HG22 ' A' ' 133' ' ' ILE . 6.5 mt-10 -74.69 -37.77 62.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -77.49 -23.58 50.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -56.51 -43.03 79.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.819 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.715 HD13 ' CD2' ' A' ' 121' ' ' LEU . 1.1 tp -52.72 -28.51 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -53.48 -31.1 44.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -75.25 -30.37 60.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.39 -53.8 42.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.525 ' HG3' HD21 ' A' ' 117' ' ' LEU . 1.4 tmt? -51.99 -37.73 54.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.35 -35.13 62.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.84 -23.65 39.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -52.07 -33.1 36.6 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.531 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -51.81 156.06 1.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.838 0.352 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -162.31 -39.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -86.52 6.84 28.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 63.64 87.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -160.46 -40.2 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 109.36 16.02 11.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.423 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -154.09 165.85 34.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.822 0.344 . . . . 0.0 110.837 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.406 HG13 ' HB ' ' A' ' 112' ' ' ILE . 24.3 mm -86.07 139.84 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.175 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -132.76 -171.76 2.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -77.35 59.96 1.93 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.56 -34.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.875 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.936 -179.941 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 2.3 mt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.807 0.337 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -68.59 -11.01 59.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -43.47 -64.53 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 8.5 mmt -75.59 60.36 1.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.936 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.736 0.303 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.42 ' H ' HD13 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -94.89 -22.03 5.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.094 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.722 ' O ' HG23 ' A' ' 9' ' ' VAL . 9.2 m-85 -100.26 -22.31 15.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.04 -36.6 55.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.87 -26.28 61.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.074 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.549 ' HB3' HG12 ' A' ' 82' ' ' VAL . . . -75.96 -44.26 40.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 5' ' ' TYR . 66.2 t -54.86 -26.47 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -51.68 -47.78 63.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.58 -21.47 60.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.597 HD12 HE22 ' A' ' 16' ' ' GLN . 4.0 mm? -76.02 177.85 6.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.1 p -117.92 131.25 56.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -65.27 -25.69 67.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -54.95 -27.67 45.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.597 HE22 HD12 ' A' ' 12' ' ' LEU . 6.1 pt20 -62.25 -32.15 72.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.86 -24.38 66.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.423 ' HA ' ' HG2' ' A' ' 21' ' ' LYS . 7.4 t-20 -87.36 -24.34 24.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -87.73 -47.25 8.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.487 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -65.28 -11.39 40.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.864 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.423 ' HG2' ' HA ' ' A' ' 18' ' ' ASN . 0.0 OUTLIER -88.19 3.33 49.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -113.26 -45.52 3.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.95 -29.85 55.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.041 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.735 ' O ' HG22 ' A' ' 28' ' ' VAL . 66.1 t80 -51.9 -31.74 29.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.74 -42.27 99.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 26.2 mt -83.29 -32.69 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.099 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -49.73 75.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.735 HG22 ' O ' ' A' ' 24' ' ' PHE . 13.5 m -95.36 26.3 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.413 HD23 ' O ' ' A' ' 29' ' ' LEU . 8.3 tt -52.08 -29.97 23.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.972 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -94.26 -19.46 33.0 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.512 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -102.81 115.81 31.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.764 0.316 . . . . 0.0 111.044 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -93.39 -25.37 17.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.24 -14.75 61.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.881 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.32 28.47 59.89 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.503 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.13 100.56 11.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.369 . . . . 0.0 110.858 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.635 HG21 HG12 ' A' ' 28' ' ' VAL . 13.2 tt -164.28 143.52 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.161 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.3 p -93.45 168.79 10.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 20.8 m -80.17 -27.08 39.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -51.76 103.2 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.592 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -92.69 -24.93 18.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.24 -35.26 49.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.11 -38.46 34.9 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.477 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.0 tptt -64.89 -26.31 68.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.769 0.319 . . . . 0.0 110.816 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 40' ' ' GLU . 48.7 t -54.08 -49.57 60.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.105 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 17.2 mmt -55.9 -45.68 78.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.805 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -69.22 -26.3 64.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.52 -33.15 59.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.811 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.2 mt -115.74 25.4 10.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 53.96 25.96 32.62 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.479 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -64.44 -177.13 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.855 0.36 . . . . 0.0 110.857 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -52.09 160.65 1.14 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.608 0.718 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 156.51 63.1 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.745 2.296 . . . . 0.0 112.289 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.518 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.82 -58.93 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.498 0.666 . . . . 0.0 111.088 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 53' ' ' THR . 54.0 Cg_endo -69.78 -22.44 32.0 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.656 2.237 . . . . 0.0 112.326 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -59.65 -35.43 74.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -78.27 -32.57 49.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' ' 54' ' ' PRO . 78.4 mt -54.67 -27.12 37.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.462 ' HG3' HD11 ' A' ' 61' ' ' ILE . 23.2 tt0 -53.26 -28.63 28.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -64.02 -32.53 74.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -50.58 49.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.462 HD11 ' HG3' ' A' ' 58' ' ' GLN . 28.6 pt -67.65 -26.65 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.34 -32.97 58.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -143.0 63.36 1.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.1 p -113.65 -36.15 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.173 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -75.08 145.14 42.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -71.28 -25.83 62.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -70.86 -10.67 60.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.17 46.39 94.6 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.526 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.7 p -103.96 -27.36 12.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.891 0.376 . . . . 0.0 110.893 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 79.92 18.8 71.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.534 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.6 t -152.59 147.84 26.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.808 0.337 . . . . 0.0 111.168 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -120.72 128.56 76.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -83.86 -169.41 2.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.828 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -61.06 -30.6 70.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.565 ' O ' HG23 ' A' ' 79' ' ' VAL . 0.4 OUTLIER -73.7 -53.27 10.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -64.94 -33.29 75.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -56.32 -50.82 70.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.4 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 0.4 OUTLIER -62.94 -37.23 86.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.585 ' O ' HG22 ' A' ' 82' ' ' VAL . 80.8 t -57.67 -26.16 26.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -23.4 62.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 15.1 mmt -52.67 -30.62 32.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.789 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.585 HG22 ' O ' ' A' ' 79' ' ' VAL . 18.1 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.795 0.331 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -51.74 -37.42 51.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.811 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.533 ' O ' HD13 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -76.58 -33.32 58.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.61 HD23 ' HA ' ' A' ' 154' ' ' LEU . 3.7 mp -70.43 -25.85 63.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 m -77.77 -25.97 49.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -94.44 -40.94 9.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.533 HD13 ' O ' ' A' ' 96' ' ' GLU . 6.1 mp -56.08 -32.08 63.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -57.96 -56.59 20.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.43 -24.63 59.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 3.4 tmm? -69.0 -53.0 22.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -65.07 -15.19 62.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -74.84 71.35 2.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.8 mttp -71.9 -26.11 62.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -74.0 -7.69 53.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 50.64 29.57 4.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 41.2 p-10 -100.92 -0.43 36.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.07 -23.53 29.0 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.518 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -109.22 175.88 5.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.851 0.358 . . . . 0.0 110.921 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.559 ' HB ' HD12 ' A' ' 148' ' ' ILE . 24.1 mm -103.19 139.75 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.103 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -109.76 165.6 11.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.4 mt -60.99 -54.81 40.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.405 ' HA ' ' HG2' ' A' ' 118' ' ' LYS . 76.9 m-20 -57.66 -20.87 36.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -81.4 -54.55 5.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.513 HD23 HG22 ' A' ' 112' ' ' ILE . 1.0 OUTLIER -70.94 -49.29 47.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.531 ' HA ' HD23 ' A' ' 121' ' ' LEU . 7.9 ptpt -59.0 -27.58 65.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -50.73 -29.8 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.083 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.92 -48.92 27.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.691 ' O ' HG22 ' A' ' 124' ' ' THR . 0.7 OUTLIER -68.92 -23.38 64.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.895 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -25.0 66.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -109.45 66.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.053 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.691 HG22 ' O ' ' A' ' 121' ' ' LEU . 14.6 t -165.88 28.8 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.151 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 93.07 -15.12 63.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.466 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 52.12 87.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.914 0.388 . . . . 0.0 110.926 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 16.8 p -91.32 -20.49 21.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.141 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.638 HD12 ' HB3' ' A' ' 132' ' ' ASP . 37.5 pt -113.07 169.94 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.5 p -105.44 173.06 6.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -57.24 -26.01 60.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -66.26 -25.74 67.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.638 ' HB3' HD12 ' A' ' 128' ' ' ILE . 13.2 t0 -79.06 -38.64 35.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.831 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.409 HD13 ' O ' ' A' ' 133' ' ' ILE . 0.4 OUTLIER -52.67 -28.54 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.37 -42.17 98.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.87 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -77.16 -30.11 54.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.927 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.29 -59.22 4.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.937 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -40.01 92.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.814 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -53.34 -32.68 50.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.908 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -83.93 -24.44 30.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -70.86 -59.58 5.05 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.49 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -77.71 90.08 3.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.858 0.361 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 7.6 tptp -114.58 16.98 17.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -99.01 21.6 11.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.0 t30 51.56 30.46 6.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -105.32 -26.11 12.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 87.55 4.21 80.26 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -153.98 156.84 38.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.788 0.327 . . . . 0.0 110.816 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.559 HD12 ' HB ' ' A' ' 112' ' ' ILE . 2.5 mt -85.44 109.0 17.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.144 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -106.43 -168.53 1.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.71 61.83 1.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -174.57 -36.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.61 ' HA ' HD23 ' A' ' 97' ' ' LEU . 10.5 mt . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.769 0.319 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -71.52 -10.49 59.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.406 ' CE2' HD13 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -42.47 -65.43 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 2.6 ptp -109.83 63.37 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 t0 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.791 0.329 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -52.85 -29.91 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.696 ' O ' HG23 ' A' ' 9' ' ' VAL . 17.7 m-85 -95.48 -54.14 3.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -51.88 -29.64 20.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.842 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.97 -53.33 55.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.102 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.643 ' HB2' HG12 ' A' ' 82' ' ' VAL . . . -71.04 -37.51 72.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 5' ' ' TYR . 91.1 t -54.06 -27.37 16.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.146 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -61.67 -18.28 58.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -122.38 -0.28 9.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.545 HD23 ' HA ' ' A' ' 9' ' ' VAL . 0.5 OUTLIER -51.0 114.47 1.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.926 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.7 p -146.58 163.35 36.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.091 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.08 -22.88 52.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -68.84 -42.32 77.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -75.64 -31.64 59.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -68.72 -42.79 77.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -82.03 -22.91 36.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -65.3 -52.16 55.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.491 ' C ' ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -90.99 17.43 7.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.24 -26.17 39.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.97 -39.81 69.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.15 -49.53 23.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.089 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.495 ' O ' HG22 ' A' ' 28' ' ' VAL . 1.2 m-85 -52.24 -33.76 42.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.68 -38.03 69.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 36.0 mt -80.45 -29.29 12.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.39 -42.5 78.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.83 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.608 HG11 HG21 ' A' ' 36' ' ' ILE . 32.7 m -99.62 25.57 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.5 tt -52.59 -29.82 27.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.52 -27.29 36.19 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.524 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.66 88.74 5.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.752 0.311 . . . . 0.0 111.109 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.28 -26.9 65.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -73.86 -14.95 61.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.42 28.31 55.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.541 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.9 t -97.29 108.48 21.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 110.849 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.608 HG21 HG11 ' A' ' 28' ' ' VAL . 15.1 tt -161.59 141.99 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.099 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.53 -74.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.72 -27.14 20.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.151 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -51.9 -31.78 29.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -57.57 -35.14 69.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.533 ' O ' HG12 ' A' ' 44' ' ' VAL . 18.5 mt -70.07 -61.96 1.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.86 -25.35 36.94 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.457 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.9 tptt -57.23 -26.36 60.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.821 0.343 . . . . 0.0 110.927 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.533 HG12 ' O ' ' A' ' 41' ' ' LEU . 10.8 p -54.46 -30.39 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -75.6 -36.19 60.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -69.93 -32.62 71.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 9.7 ttm -56.31 -29.88 61.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.1 mt -82.65 -19.04 39.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.29 46.51 49.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.486 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -114.45 -171.35 1.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.802 0.334 . . . . 0.0 110.899 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -53.29 160.68 1.63 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.573 0.702 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 171.24 14.85 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.722 2.282 . . . . 0.0 112.303 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.515 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.91 -58.98 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.583 0.706 . . . . 0.0 111.09 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 53' ' ' THR . 53.9 Cg_endo -69.73 -10.79 29.44 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.649 2.233 . . . . 0.0 112.404 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -65.62 -31.04 71.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -69.14 -50.12 50.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.32 -27.09 61.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -52.46 -35.43 52.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.96 -30.83 61.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.59 -47.06 28.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.567 ' O ' HG12 ' A' ' 64' ' ' VAL . 45.4 pt -58.54 -24.08 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.097 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.01 -30.2 24.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -119.61 57.71 0.9 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.567 HG12 ' O ' ' A' ' 61' ' ' ILE . 10.6 p -116.09 -23.17 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -51.84 103.49 0.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -63.5 -23.05 67.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -70.26 -10.83 60.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 58.85 19.74 45.17 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.48 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.9 p -93.23 -26.3 17.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.861 0.363 . . . . 0.0 110.84 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.34 19.62 64.48 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.5 t -149.28 142.17 24.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.85 0.357 . . . . 0.0 111.183 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.4 p -91.34 123.84 43.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.111 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.17 -177.36 5.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -58.26 -68.56 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.556 ' O ' HG23 ' A' ' 79' ' ' VAL . 2.0 p-10 -65.89 -32.12 73.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -56.11 -33.05 64.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.97 -38.22 81.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -78.94 -24.23 44.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.592 ' O ' HG22 ' A' ' 82' ' ' VAL . 21.6 t -79.84 -21.04 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -13.03 61.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -75.84 -24.1 55.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.823 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.643 HG12 ' HB2' ' A' ' 8' ' ' ALA . 5.3 m . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.147 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.786 0.327 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -51.42 -47.02 63.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.434 ' O ' HD13 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -68.38 -33.06 73.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.56 HD23 HD22 ' A' ' 154' ' ' LEU . 1.9 mp -67.44 -25.85 66.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 62.1 m -76.89 -34.71 57.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -86.21 -32.39 21.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.434 HD13 ' O ' ' A' ' 96' ' ' GLU . 2.4 mp -56.39 -37.19 69.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -56.59 -56.63 18.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.62 -28.21 66.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 8.7 ttt -72.41 -28.11 62.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -96.51 -25.71 15.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -76.2 67.25 2.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -79.65 -19.25 49.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -74.09 -7.82 53.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 49.97 32.04 5.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.085 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -102.86 -18.57 15.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.816 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 109.68 -34.27 5.57 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -109.3 169.65 8.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.909 0.385 . . . . 0.0 110.89 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.585 ' HB ' HD12 ' A' ' 148' ' ' ILE . 12.6 mm -95.73 134.89 31.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.3 168.13 9.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.576 HD23 ' HG3' ' A' ' 137' ' ' MET . 16.2 mt -55.14 -55.44 31.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.452 ' O ' HG13 ' A' ' 119' ' ' ILE . 2.2 m-20 -55.76 -20.22 14.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -87.87 -54.77 4.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.739 HD12 HD11 ' A' ' 133' ' ' ILE . 0.8 OUTLIER -67.01 -45.02 78.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.879 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.2 ptpt -52.3 -24.08 6.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 115' ' ' ASP . 70.5 mt -49.15 -35.75 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.121 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 4.0 ppp? -53.4 -39.06 63.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.36 -21.69 33.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -59.25 -27.05 65.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -84.72 -48.04 9.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 41.4 p -51.8 -60.82 2.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.136 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 87.92 26.8 28.09 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.54 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -57.81 -179.51 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.925 0.393 . . . . 0.0 110.92 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.8 t -105.27 67.72 0.79 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -124.74 176.37 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 70.4 p -97.35 160.61 14.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.219 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.556 ' O ' HG22 ' A' ' 133' ' ' ILE . 0.3 OUTLIER -70.71 -24.7 62.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.875 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.03 -19.3 58.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.939 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.43 -29.84 70.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.739 HD11 HD12 ' A' ' 117' ' ' LEU . 11.2 tp -51.63 -29.64 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -54.19 -27.04 31.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -73.92 -34.13 64.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.462 HD12 HD12 ' A' ' 133' ' ' ILE . 1.5 mt -64.59 -59.01 4.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.614 ' HG3' HD21 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -54.52 -36.85 64.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.809 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 18.5 tptt -51.39 -41.21 60.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.949 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -83.87 -21.39 31.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.8 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -64.14 -61.07 6.4 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -53.76 173.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.61 -40.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 62.8 m-20 -67.36 -79.68 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 176.03 -33.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -50.8 -30.56 14.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 91.23 8.62 64.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -112.39 143.79 42.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.311 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.585 HD12 ' HB ' ' A' ' 112' ' ' ILE . 4.5 mt -85.13 129.63 37.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.087 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -117.39 -166.71 1.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -70.06 -29.2 66.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.26 -30.53 17.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.56 HD22 HD23 ' A' ' 97' ' ' LEU . 1.5 mt . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.815 0.341 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -69.8 -10.99 60.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -44.51 -65.53 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -78.44 -30.84 47.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.856 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 1.1 tptp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.1 t70 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.79 0.329 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.621 HG23 ' CD1' ' A' ' 5' ' ' TYR . 4.6 tp -68.41 -26.19 33.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.738 ' O ' HG23 ' A' ' 9' ' ' VAL . 2.7 m-85 -114.25 -24.83 8.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -72.3 -25.69 61.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.73 -37.56 67.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.89 -33.23 65.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 5' ' ' TYR . 96.1 t -54.67 -26.41 16.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -65.8 -43.41 88.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -81.76 -25.23 35.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.459 ' CD1' HD13 ' A' ' 78' ' ' LEU . 1.6 mm? -55.45 133.5 50.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.558 HG22 ' OE1' ' A' ' 16' ' ' GLN . 2.4 t -146.53 142.11 27.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.166 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -55.8 -25.61 42.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -58.46 -58.29 9.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.558 ' OE1' HG22 ' A' ' 13' ' ' THR . 6.9 pt20 -75.62 -32.02 60.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.4 ttmt -60.83 -36.58 79.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -81.9 -22.92 36.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -65.23 -52.33 55.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.544 ' CZ ' HD12 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -91.16 17.56 8.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.899 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.83 -27.61 40.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -102.83 -28.67 11.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.81 -26.0 53.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.086 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.543 ' O ' HG22 ' A' ' 28' ' ' VAL . 24.5 t80 -64.55 -47.21 79.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.67 -30.4 71.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.4 mt -81.04 -26.51 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.075 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.4 -38.6 49.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 24' ' ' PHE . 27.2 m -99.77 25.14 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.4 tp -54.47 -29.26 49.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -77.5 -46.55 9.79 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.526 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.56 131.61 46.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -91.91 -34.16 14.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.18 -14.83 58.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.11 25.09 62.51 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.448 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.471 ' HA ' HG12 ' A' ' 72' ' ' VAL . 1.7 p -124.64 136.76 54.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.854 0.359 . . . . 0.0 110.812 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.9 pt -149.89 152.22 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.132 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.528 ' HB3' HD13 ' A' ' 61' ' ' ILE . 1.4 p -109.93 -23.25 11.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.3 -49.42 61.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.15 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.6 tttm 65.95 -126.41 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -98.12 -51.17 4.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.769 ' C ' HD22 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -70.77 -9.45 57.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.422 ' N ' HD13 ' A' ' 41' ' ' LEU . . . -76.62 -35.5 40.76 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.441 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -76.65 -47.22 22.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.348 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.2 p -53.9 -31.17 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.139 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 10.4 mmt -75.23 -39.98 59.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 -74.76 -25.77 59.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.81 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.652 ' C ' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -53.96 -55.6 25.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.853 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.652 HD13 ' C ' ' A' ' 47' ' ' MET . 0.2 OUTLIER -113.8 16.61 18.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 53.42 41.46 63.34 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.455 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -57.67 -179.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.896 0.379 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -51.55 161.02 0.89 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.57 0.7 . . . . 0.0 110.926 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 150.87 68.32 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.661 2.24 . . . . 0.0 112.371 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.5 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.95 -58.78 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.565 0.698 . . . . 0.0 111.203 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 53' ' ' THR . 53.2 Cg_endo -69.85 -16.09 37.04 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.732 2.288 . . . . 0.0 112.283 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -61.46 -30.92 70.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.938 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -78.88 -30.07 44.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.461 HD13 ' O ' ' A' ' 37' ' ' SER . 96.7 mt -52.31 -34.68 48.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -60.03 -32.79 71.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.51 -27.41 58.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.682 ' O ' HG13 ' A' ' 64' ' ' VAL . 2.4 ttm -74.79 -47.88 28.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.528 HD13 ' HB3' ' A' ' 37' ' ' SER . 36.4 pt -58.54 -23.34 22.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.142 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -52.1 -30.98 28.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -146.91 78.82 1.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.682 HG13 ' O ' ' A' ' 60' ' ' MET . 7.0 m -130.83 -39.68 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.76 104.14 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -88.9 -30.26 19.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -73.91 -10.71 59.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.79 60.21 3.75 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.475 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 89.6 p -118.69 -36.34 3.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 110.882 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.14 -20.75 44.09 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.48 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.8 t -131.54 150.78 52.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.831 0.348 . . . . 0.0 111.146 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.471 HG12 ' HA ' ' A' ' 35' ' ' SER . 6.4 p -85.04 124.01 39.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.062 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.03 179.61 7.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -59.3 -70.35 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -57.41 -27.15 62.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -72.34 -30.69 64.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -64.65 -31.36 72.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.544 HD12 ' CZ ' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -77.49 -26.45 51.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 66.9 t -76.23 -24.93 16.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 36.6 mmm -52.9 -29.42 28.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.816 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.21 -68.23 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 8.5 p . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.091 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 CA--C 1.526 0.042 0 CA-C-O 120.859 0.362 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -51.93 -30.05 22.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -52.27 -33.45 41.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -72.83 -33.48 66.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.0 p -61.93 -44.9 95.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -60.42 -51.68 68.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.6 mp -59.31 -37.95 79.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -60.93 -56.51 20.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.7 ptt180 -70.62 -16.49 62.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.26 -36.66 24.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.814 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -87.03 -16.65 35.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -77.45 59.64 1.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.94 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.96 -11.17 60.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -74.32 -7.67 53.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 50.45 30.75 4.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 45.7 p-10 -115.0 -14.77 11.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 102.81 -20.81 42.57 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.437 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -109.01 173.77 6.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.851 0.358 . . . . 0.0 110.934 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.509 HG21 HD21 ' A' ' 117' ' ' LEU . 10.7 mm -101.65 138.32 26.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.65 153.95 23.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.834 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.7 mt -47.55 -45.62 27.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -51.01 -49.84 59.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -62.83 -25.12 68.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.825 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.509 HD21 HG21 ' A' ' 112' ' ' ILE . 48.5 mt -80.91 -50.65 9.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.76 -46.08 76.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 50.2 mt -51.28 -30.29 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.079 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 16.3 ttp -62.17 -58.93 5.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.597 HD13 ' HB2' ' A' ' 126' ' ' GLU . 2.4 pp -72.77 -22.16 60.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -61.43 -25.59 67.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -51.82 -31.37 27.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.556 HG23 ' H ' ' A' ' 126' ' ' GLU . 2.0 t -119.55 -29.84 4.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 106.28 -15.82 42.48 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.519 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.597 ' HB2' HD13 ' A' ' 121' ' ' LEU . 2.6 tt0 50.97 -169.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.937 0.398 . . . . 0.0 110.878 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 10.9 t -123.78 28.2 6.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.18 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.655 HD12 ' HB3' ' A' ' 132' ' ' ASP . 40.9 pt -130.59 177.77 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 9.3 p -93.68 177.8 5.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.193 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -74.72 -29.39 61.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -59.98 -20.33 57.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.655 ' HB3' HD12 ' A' ' 128' ' ' ILE . 20.0 t0 -78.76 -40.36 33.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.825 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -54.14 -27.38 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -63.43 -26.6 68.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.96 -29.58 55.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.934 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.503 HD23 ' CE1' ' A' ' 156' ' ' PHE . 0.2 OUTLIER -51.28 -59.17 4.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.975 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -51.72 -49.45 62.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -62.76 -23.45 67.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.53 -58.24 4.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -73.85 -34.59 55.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.526 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -71.39 94.9 1.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.917 0.389 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.89 -20.39 14.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -69.14 -11.53 60.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 64.31 25.64 13.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 10.7 p30 -105.61 10.83 32.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 55.18 30.25 54.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.423 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -154.12 131.81 11.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.771 0.32 . . . . 0.0 110.845 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.438 HG23 ' HB2' ' A' ' 152' ' ' GLU . 83.3 mt -103.09 100.12 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -95.88 -160.64 0.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.15 62.27 0.9 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -165.86 -41.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.83 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.438 ' HB2' HG23 ' A' ' 148' ' ' ILE . 16.2 mp0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 10.9 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.775 0.322 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.61 -9.99 59.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.503 ' CE1' HD23 ' A' ' 136' ' ' LEU . 0.1 OUTLIER -42.32 -65.56 0.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 4.0 ptp -124.13 49.05 1.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.826 0.346 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.43 ' H ' HD13 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -93.75 -13.89 8.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -108.17 -28.37 9.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -77.19 -34.34 56.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.03 -33.57 74.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.11 -57.51 3.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.0 p -59.89 -26.64 36.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.078 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -52.45 -37.09 56.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -75.14 -29.27 60.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.64 150.98 42.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.535 HG23 ' HG2' ' A' ' 16' ' ' GLN . 9.4 t -85.43 137.97 32.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.078 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -71.89 -24.29 61.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -55.01 -50.92 67.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.535 ' HG2' HG23 ' A' ' 13' ' ' THR . 18.6 pt20 -75.55 -32.02 60.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -58.04 -43.03 86.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.84 -22.73 39.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.72 -52.3 57.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.508 ' C ' ' CD1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -92.6 19.52 7.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.67 -2.8 44.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.924 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -116.49 -32.29 5.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.48 -28.62 52.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -51.75 -35.24 42.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.05 -42.84 99.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.663 ' O ' HD22 ' A' ' 29' ' ' LEU . 78.1 mt -70.2 -21.34 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.6 -44.58 67.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.793 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.554 ' HB ' ' HB ' ' A' ' 36' ' ' ILE . 2.1 t -91.54 15.67 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.663 HD22 ' O ' ' A' ' 26' ' ' ILE . 1.4 pt? -53.07 -32.08 45.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.623 ' H ' HD23 ' A' ' 29' ' ' LEU . . . -143.16 36.13 1.61 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.445 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.447 ' HB2' HG13 ' A' ' 28' ' ' VAL . . . -60.11 -168.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.747 0.308 . . . . 0.0 111.088 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -52.48 -46.81 66.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.841 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.39 -19.41 12.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 56.88 33.09 62.97 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.827 ' HB3' HG12 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -51.14 -25.62 5.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 110.877 -179.722 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.554 ' HB ' ' HB ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -58.82 167.56 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.65 ' HB3' HG21 ' A' ' 61' ' ' ILE . 8.2 p -46.08 159.83 0.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.6 m -88.7 -26.25 21.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.457 ' CD ' HD22 ' A' ' 57' ' ' LEU . 3.8 mptt -50.61 101.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.03 -25.27 17.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.41 -22.89 34.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.947 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.24 -24.48 68.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.441 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.467 ' HB2' HG23 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -56.15 -50.95 69.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.808 0.337 . . . . 0.0 110.912 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.408 HG22 ' HG ' ' A' ' 48' ' ' LEU . 10.5 p -72.57 -29.98 32.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.7 mmt -55.63 -48.85 74.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.894 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.21 -46.47 28.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.31 -24.79 57.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.408 ' HG ' HG22 ' A' ' 44' ' ' VAL . 15.8 mt -83.68 -19.11 35.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.78 44.64 47.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.507 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -106.45 179.03 4.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.816 0.341 . . . . 0.0 110.908 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -56.16 160.59 4.63 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.636 0.731 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 164.7 33.56 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.824 2.349 . . . . 0.0 112.304 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.515 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.0 OUTLIER 178.86 -58.88 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.564 0.697 . . . . 0.0 111.114 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 53' ' ' THR . 53.2 Cg_endo -69.84 -10.17 27.85 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.694 2.263 . . . . 0.0 112.318 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -55.59 -32.75 63.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -65.19 -30.45 71.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.457 HD22 ' CD ' ' A' ' 39' ' ' LYS . 8.9 mt -57.71 -27.06 62.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.69 -27.88 63.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.949 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -75.13 -44.45 46.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 30.5 mtt -61.78 -41.76 98.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.701 ' O ' HG22 ' A' ' 64' ' ' VAL . 42.4 pt -76.44 -23.13 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -79.72 -7.62 58.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -114.51 32.57 5.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.701 HG22 ' O ' ' A' ' 61' ' ' ILE . 14.1 m -119.2 -29.53 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.087 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.514 ' HB2' HG22 ' A' ' 71' ' ' THR . 13.4 t0 -102.06 78.33 1.77 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -62.43 -17.24 58.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -103.53 -4.83 23.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 50.94 42.36 47.04 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.511 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -149.53 -42.04 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.934 0.397 . . . . 0.0 110.873 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -46.06 -49.13 14.2 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.464 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.514 HG22 ' HB2' ' A' ' 65' ' ' ASP . 6.9 t -111.67 176.01 5.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.745 0.307 . . . . 0.0 111.174 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.827 HG12 ' HB3' ' A' ' 35' ' ' SER . 3.1 p -101.18 102.37 13.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -97.8 -179.08 4.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -56.47 -33.69 66.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.811 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.463 ' O ' HG23 ' A' ' 79' ' ' VAL . 0.5 OUTLIER -74.25 -53.79 9.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -60.98 -29.97 69.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -73.7 -54.21 8.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.87 -48.09 78.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.687 ' O ' HG22 ' A' ' 82' ' ' VAL . 70.4 t -59.12 -24.72 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 6.5 mmt -84.22 -7.45 59.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.81 -8.33 54.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.687 HG22 ' O ' ' A' ' 79' ' ' VAL . 10.6 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.786 0.327 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -53.95 -27.57 31.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.84 -33.26 35.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.7 mt -52.01 -30.12 23.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 p -67.29 -36.72 82.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.77 -55.85 11.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.941 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -58.66 -33.01 69.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -51.89 -57.35 9.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -75.89 -35.71 59.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -47.9 69.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -72.28 -11.67 60.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -76.98 60.9 1.88 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.751 ' HE3' HD13 ' A' ' 119' ' ' ILE . 44.2 mttm -54.53 -44.72 73.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -76.86 -8.83 58.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 45.62 60.18 3.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.076 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -114.99 3.33 14.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 95.78 -32.95 5.86 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.511 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -108.94 176.24 5.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.841 0.353 . . . . 0.0 110.97 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.597 ' HB ' HD12 ' A' ' 148' ' ' ILE . 11.6 mm -112.24 130.34 66.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.099 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.58 147.01 33.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.96 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.737 HD12 ' N ' ' A' ' 115' ' ' ASP . 1.5 pp -49.75 -26.2 3.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.737 ' N ' HD12 ' A' ' 114' ' ' LEU . 0.6 OUTLIER -58.29 -42.11 85.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.826 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.831 ' HA ' HD12 ' A' ' 119' ' ' ILE . 2.7 mt-10 -82.57 -26.39 32.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.646 HD12 ' HA ' ' A' ' 114' ' ' LEU . 31.6 mt -72.34 -49.16 36.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -56.12 -38.69 71.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.831 HD12 ' HA ' ' A' ' 116' ' ' GLU . 58.2 mt -51.78 -29.83 11.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.28 -59.73 2.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.2 pp -59.42 -23.9 63.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -78.17 -16.35 57.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.73 -15.85 61.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.054 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.7 t -110.02 -40.94 4.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.076 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 57.28 33.99 66.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.09 -75.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.921 0.391 . . . . 0.0 110.864 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.7 t 178.33 82.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.149 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.1 pp -131.4 167.75 25.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 16.5 p -106.78 160.17 15.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -38.26 78.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -61.94 -18.86 61.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -70.31 -39.75 74.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.428 HD12 ' HB2' ' A' ' 114' ' ' LEU . 0.4 OUTLIER -55.84 -27.85 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -25.62 67.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.19 -29.3 54.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.569 HD22 ' HB3' ' A' ' 117' ' ' LEU . 1.5 mt -55.76 -59.22 5.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.933 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 2.7 tpt -71.43 -50.14 34.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 25.6 tptt -51.0 -63.11 1.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -67.36 -24.04 65.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.912 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -51.5 -53.92 26.55 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.519 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -54.7 168.77 0.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.887 0.375 . . . . 0.0 110.827 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -157.65 -39.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -64.77 -78.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 176.52 -32.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.28 -30.92 12.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 91.56 17.38 49.45 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.578 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -134.88 154.95 51.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.797 0.332 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.597 HD12 ' HB ' ' A' ' 112' ' ' ILE . 2.0 mt -85.66 100.5 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -101.34 -166.28 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.778 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -75.75 61.5 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -175.36 -36.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 -179.854 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 2.0 mt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.766 0.317 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -70.05 -10.76 59.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.496 ' CE2' HD13 ' A' ' 148' ' ' ILE . 0.1 OUTLIER -43.72 -65.73 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 4.2 ptp -122.84 55.85 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.797 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.406 ' O ' ' CB ' ' A' ' 4' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.747 0.308 . . . . 0.0 110.862 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.708 HG22 ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER 78.02 -40.19 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.137 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.708 ' CD1' HG22 ' A' ' 4' ' ' ILE . 7.1 m-85 -69.6 -30.41 68.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.94 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -77.98 -24.32 48.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.824 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.29 -38.78 65.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.09 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.16 -52.61 22.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.065 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.6 p -54.4 -26.71 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.082 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.2 tt0 -66.16 -35.31 80.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -105.63 24.68 11.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.937 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.571 HD21 ' HD3' ' A' ' 17' ' ' LYS . 5.1 tp -122.0 116.05 23.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.4 HG23 ' H ' ' A' ' 16' ' ' GLN . 8.5 t -74.38 131.05 40.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.132 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -57.83 -23.72 54.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -54.96 -55.68 28.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.4 ' H ' HG23 ' A' ' 13' ' ' THR . 3.7 pt20 -74.84 -32.56 61.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.571 ' HD3' HD21 ' A' ' 12' ' ' LEU . 14.7 ttpt -53.38 -37.35 62.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -81.12 -22.82 38.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.927 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -52.99 52.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.503 ' C ' ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -90.88 17.9 7.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.96 -27.36 39.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.05 -27.33 68.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.45 -25.01 59.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -80.83 -40.82 24.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.76 -28.22 60.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.3 mt -69.27 -31.8 51.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.44 -28.32 46.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.571 ' HB ' ' HB3' ' A' ' 31' ' ' ALA . 20.7 m -111.99 25.69 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.5 tp -54.79 -29.32 54.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -96.34 -21.65 21.72 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.476 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.571 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . . . -78.99 125.77 29.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.746 0.308 . . . . 0.0 111.08 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -87.38 -31.1 20.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.04 -14.88 37.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.64 25.39 75.21 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.501 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.4 t -100.62 105.39 16.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.818 0.342 . . . . 0.0 110.866 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.645 ' O ' HG11 ' A' ' 72' ' ' VAL . 1.1 pt -130.88 107.17 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.218 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.58 120.08 6.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.1 t -53.53 -31.26 45.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -53.11 106.39 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -52.06 -30.56 26.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.4 mt -59.59 -49.15 78.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.962 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.28 -26.67 63.32 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.466 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -50.4 57.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.815 0.341 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.2 p -64.56 -30.09 49.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.165 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 8.6 mmt -60.21 -46.52 89.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -55.77 -42.52 75.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 9.2 mtt -57.32 -26.05 60.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.95 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 mt -95.8 28.29 3.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.71 19.56 63.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 59.02 96.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.814 0.34 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -103.36 160.62 25.58 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.662 0.744 . . . . 0.0 110.856 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 115.16 3.96 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.613 2.209 . . . . 0.0 112.448 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.517 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.91 -58.86 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.542 0.687 . . . . 0.0 111.171 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 53' ' ' THR . 53.4 Cg_endo -69.72 -16.82 37.92 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.742 2.295 . . . . 0.0 112.38 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -56.31 -31.33 63.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -76.42 -34.23 58.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 82.6 mt -56.01 -28.81 58.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.973 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -54.07 -35.01 61.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.94 -31.32 63.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 7.4 ttt -74.22 -48.27 29.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 36.8 pt -61.45 -25.83 37.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.75 -31.15 36.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -109.87 32.91 4.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 72.5 t -130.1 -40.17 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -54.73 114.34 1.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -66.93 -31.74 72.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -84.97 -10.73 56.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 56.52 57.56 18.81 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 98.2 p -110.04 -41.93 4.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.893 0.378 . . . . 0.0 110.841 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 102.85 -19.71 46.11 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.516 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.9 t -125.94 151.55 46.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.853 0.359 . . . . 0.0 111.097 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.645 HG11 ' O ' ' A' ' 36' ' ' ILE . 6.4 p -90.36 124.49 43.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.183 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -87.2 -176.96 5.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.798 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -74.9 -35.08 62.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.45 -27.23 63.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -62.85 -39.67 95.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -65.13 -43.32 92.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.786 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.98 -29.84 31.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.7 t -57.22 -23.31 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -31.59 30.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -61.08 -64.88 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.954 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.743 0.306 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -52.49 -47.93 66.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -55.14 -33.78 63.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.413 HD22 HD23 ' A' ' 154' ' ' LEU . 0.2 OUTLIER -69.02 -27.68 65.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.58 -26.97 68.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -61.04 -64.16 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.494 HD12 ' HE2' ' A' ' 104' ' ' PHE . 4.3 mm? -56.41 -32.97 65.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.47 -55.7 28.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.805 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -25.76 66.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -26.71 56.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.494 ' HE2' HD12 ' A' ' 100' ' ' LEU . 8.5 m-85 -96.29 -24.95 15.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -75.62 69.04 2.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -77.47 -23.3 50.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -74.24 -7.99 54.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 49.05 32.4 3.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.03 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 18.0 p30 -108.87 -1.05 19.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 91.45 -19.58 46.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.534 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -108.61 170.87 7.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.943 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.506 HG21 HD21 ' A' ' 117' ' ' LEU . 14.3 mm -105.77 138.79 29.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.146 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -110.42 150.04 29.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.691 ' HA ' HD12 ' A' ' 117' ' ' LEU . 6.1 mt -49.94 -49.05 51.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.49 -30.06 18.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -81.02 -30.49 34.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.691 HD12 ' HA ' ' A' ' 114' ' ' LEU . 11.7 mt -75.99 -49.04 18.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.96 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.578 ' NZ ' HG21 ' A' ' 133' ' ' ILE . 0.2 OUTLIER -65.77 -28.32 68.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.812 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 1.5 mt -56.17 -31.94 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.073 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 13.7 tpt -69.93 -61.14 1.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.594 HD13 ' CG1' ' A' ' 128' ' ' ILE . 1.4 pp -60.14 -26.86 66.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.59 -26.19 66.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.99 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -138.33 85.84 2.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 3.9 t -159.64 -40.94 0.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 103.01 33.31 4.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -97.54 178.69 5.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 0.0 110.92 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.0 t -115.62 73.2 0.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.05 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.594 ' CG1' HD13 ' A' ' 121' ' ' LEU . 0.2 OUTLIER -131.13 167.12 26.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 179.818 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 18.5 p -100.92 160.74 14.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.102 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.546 ' O ' HG22 ' A' ' 133' ' ' ILE . 3.5 mt-10 -73.7 -29.51 62.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.953 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.16 -27.99 53.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.83 -34.46 54.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.619 HD11 ' HB2' ' A' ' 117' ' ' LEU . 11.1 tp -52.21 -29.55 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.44 -50.43 69.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -72.14 -29.44 64.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.462 ' C ' HD13 ' A' ' 136' ' ' LEU . 1.9 tm? -58.83 -59.08 6.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.482 ' SD ' HD11 ' A' ' 117' ' ' LEU . 15.4 tpt -50.84 -50.89 55.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp -64.09 -23.82 67.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.2 -6.61 50.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.87 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -108.77 -26.34 5.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.526 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -60.32 107.69 0.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.853 0.359 . . . . 0.0 110.809 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.31 -28.6 5.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 30.6 t30 -74.65 -7.18 52.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 64.84 42.65 4.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 28.1 p30 -117.49 -14.21 10.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 86.29 15.75 63.82 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.457 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -154.39 163.65 39.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.774 0.321 . . . . 0.0 110.897 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 23.7 mm -85.94 139.65 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -129.01 -175.04 3.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.8 61.23 1.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 179.99 -34.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.806 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 -179.916 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.413 HD23 HD22 ' A' ' 97' ' ' LEU . 2.6 mt . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.812 0.339 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -70.04 -10.26 58.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -42.62 -66.19 0.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 5.2 mtm -98.46 -43.75 6.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.816 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.932 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.479 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.856 0.36 . . . . 0.0 110.847 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.479 ' CG1' ' O ' ' A' ' 3' ' ' ASP . 4.8 pt 46.42 26.62 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.166 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.43 ' CD1' HG13 ' A' ' 4' ' ' ILE . 19.4 m-30 -120.36 -23.37 6.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.89 -11.98 59.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.25 -46.91 16.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.052 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.728 ' HB2' HG11 ' A' ' 82' ' ' VAL . . . -52.23 -55.37 21.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.041 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.6 p -58.41 -29.08 37.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -69.49 -28.51 66.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -114.96 34.76 4.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.1 mt -76.77 113.76 14.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.479 HG23 ' H ' ' A' ' 16' ' ' GLN . 8.3 t -114.14 131.84 56.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.184 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -55.3 -26.62 41.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -54.87 -59.22 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.558 ' HG3' HD11 ' A' ' 78' ' ' LEU . 8.9 pt20 -75.69 -32.11 59.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.96 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.56 -22.39 55.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.419 ' HA ' ' HG2' ' A' ' 21' ' ' LYS . 9.0 t-20 -87.11 -24.34 24.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -87.61 -47.56 8.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.498 ' C ' ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -65.01 -11.38 38.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.828 -179.855 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.419 ' HG2' ' HA ' ' A' ' 18' ' ' ASN . 0.0 OUTLIER -88.37 -18.81 27.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.22 -33.02 14.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.109 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.75 -54.68 6.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.083 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -60.4 -36.15 77.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.422 ' HA ' HG22 ' A' ' 28' ' ' VAL . 10.5 t70 -56.25 -27.71 56.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.8 mt -82.86 -25.19 8.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.072 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.4 -26.1 23.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.49 HG12 HG21 ' A' ' 36' ' ' ILE . 18.1 m -95.11 25.48 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.12 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.6 tp -52.6 -43.67 65.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -85.18 -33.76 16.6 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.521 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.541 ' HB1' ' H ' ' A' ' 35' ' ' SER . . . -71.28 107.66 4.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.673 0.273 . . . . 0.0 111.075 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -64.18 -35.08 79.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -109.88 24.33 13.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 62.41 28.54 71.26 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.481 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.541 ' H ' ' HB1' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -64.38 92.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.834 0.349 . . . . 0.0 110.937 -179.732 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.49 HG21 HG12 ' A' ' 28' ' ' VAL . 9.8 tt -174.52 128.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.199 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.97 -74.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.8 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.2 t -89.87 -33.68 16.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -89.62 56.18 3.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.925 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.441 ' HG3' HD12 ' A' ' 41' ' ' LEU . 18.8 pt-20 -61.69 -35.29 77.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.441 HD12 ' HG3' ' A' ' 40' ' ' GLU . 5.6 mp -72.31 -40.88 67.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.66 -27.17 73.09 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.533 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.408 ' HG3' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -57.01 -31.22 64.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.844 0.354 . . . . 0.0 110.895 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.3 t -54.97 -31.72 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.8 mmt -75.53 -38.37 59.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.65 -42.97 71.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 23.6 mtt -60.15 -25.34 65.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.8 mt -95.77 29.37 2.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.39 19.16 64.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.34 105.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -112.72 160.61 30.0 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.659 0.742 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 113.6 3.42 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.686 2.257 . . . . 0.0 112.348 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.507 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.94 -58.85 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.577 0.703 . . . . 0.0 111.204 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 53' ' ' THR . 54.2 Cg_endo -69.74 -15.73 37.3 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.377 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -55.71 -30.97 62.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -71.95 -30.4 65.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 67.8 mt -71.03 -27.08 63.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -52.06 -32.1 33.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -72.74 -34.81 67.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.832 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.79 -50.52 23.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.85 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 26.7 pt -59.73 -25.56 32.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.38 -29.38 48.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -102.45 29.36 5.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.3 t -128.14 -41.67 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -68.43 95.01 0.59 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -57.58 -25.7 60.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -70.68 -10.72 60.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 54.19 28.52 42.42 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.429 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 96.3 p -100.2 -28.37 13.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.927 0.394 . . . . 0.0 110.913 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 69.14 19.32 73.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.7 t -153.87 149.28 27.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.848 0.356 . . . . 0.0 111.117 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.403 ' O ' HG13 ' A' ' 72' ' ' VAL . 6.3 p -102.63 122.29 54.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -85.69 -170.22 3.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -65.22 -74.05 0.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -54.51 -27.02 35.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.414 ' HA ' HG23 ' A' ' 79' ' ' VAL . 5.0 mt-10 -55.63 -30.3 60.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -56.54 -33.49 66.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.558 HD11 ' HG3' ' A' ' 16' ' ' GLN . 0.3 OUTLIER -72.41 -24.8 61.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.909 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.414 HG23 ' HA ' ' A' ' 76' ' ' GLU . 51.9 t -60.25 -19.78 18.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 29.2 mmt -84.09 -7.85 59.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.7 mtp -93.36 -40.08 10.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.728 HG11 ' HB2' ' A' ' 8' ' ' ALA . 13.5 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.836 0.35 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.97 -26.55 37.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.32 -33.35 42.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.413 HD13 ' HB3' ' A' ' 154' ' ' LEU . 0.6 OUTLIER -54.84 -26.71 36.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 38.9 p -68.01 -28.14 67.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -66.82 -61.1 2.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.2 mp -56.41 -34.34 66.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.68 -55.93 21.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -16.72 64.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -86.07 -25.73 25.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -96.4 -34.88 11.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -77.46 60.07 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -73.07 -13.09 61.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -74.07 -7.76 53.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 50.27 31.39 5.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.115 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.2 p-10 -108.48 -3.87 17.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.43 -25.14 22.2 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.538 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -108.75 170.51 7.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.929 0.395 . . . . 0.0 110.924 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.492 HG21 HD21 ' A' ' 117' ' ' LEU . 22.5 mm -100.35 139.88 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.171 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.41 149.45 29.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.664 ' HA ' HD12 ' A' ' 117' ' ' LEU . 4.6 mt -49.24 -44.71 43.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.13 -35.09 33.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.786 ' HA ' HD12 ' A' ' 119' ' ' ILE . 6.1 mt-10 -81.19 -25.43 36.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.664 HD12 ' HA ' ' A' ' 114' ' ' LEU . 23.8 mt -77.92 -49.54 13.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.741 ' HA ' HD23 ' A' ' 121' ' ' LEU . 0.2 OUTLIER -62.73 -28.48 69.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 179.772 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.786 HD12 ' HA ' ' A' ' 116' ' ' GLU . 7.7 mt -52.76 -37.01 24.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.547 ' O ' HG23 ' A' ' 124' ' ' THR . 0.3 OUTLIER -69.52 -29.26 66.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.825 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.741 HD23 ' HA ' ' A' ' 118' ' ' LYS . 0.3 OUTLIER -84.4 -25.18 29.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -82.3 -22.62 35.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -95.27 26.73 3.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 120' ' ' MET . 57.6 p -125.62 -45.59 1.77 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 100.37 17.18 25.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.453 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.58 -176.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.921 0.391 . . . . 0.0 110.895 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.6 p -131.22 70.75 1.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.085 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.448 HD11 HD13 ' A' ' 121' ' ' LEU . 0.2 OUTLIER -130.65 174.93 12.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.885 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.5 p -99.26 162.64 12.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -74.38 -29.34 61.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.24 -27.03 43.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -71.3 -41.89 69.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.846 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.6 -27.86 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -62.41 -33.28 74.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -72.33 -30.06 64.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.79 -58.81 5.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -54.05 -37.17 63.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -71.47 -25.34 62.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -77.66 -58.13 3.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -58.6 -30.88 66.09 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -51.5 109.87 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.919 0.39 . . . . 0.0 110.828 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -117.66 -27.97 6.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -79.25 -2.61 41.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 67.1 t30 63.49 26.08 14.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -101.35 -20.13 15.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.821 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 90.13 21.28 39.22 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -153.98 160.4 42.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.761 0.315 . . . . 0.0 110.893 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 22.5 mm -85.91 139.44 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.181 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -131.1 -173.98 3.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.37 60.42 1.55 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.964 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 179.13 -33.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.82 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.903 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.413 ' HB3' HD13 ' A' ' 97' ' ' LEU . 1.6 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.771 0.32 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -70.41 -9.69 57.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -42.16 -66.12 0.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 14.5 mmt -59.79 -39.48 85.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 1.5 mptt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.935 179.954 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.3 t70 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.8 0.333 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.513 HD12 ' CE1' ' A' ' 5' ' ' TYR . 1.0 OUTLIER -50.79 -35.35 13.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.513 ' CE1' HD12 ' A' ' 4' ' ' ILE . 22.3 m-85 -104.19 -40.26 6.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -61.49 -17.97 56.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.14 -51.42 25.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.138 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.32 -26.46 40.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 91.1 t -52.1 -40.64 30.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -63.6 -30.27 71.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -111.05 29.48 7.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.954 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 mt -56.5 128.72 37.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.1 p -118.06 131.5 56.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.151 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -68.54 -25.54 64.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.71 -26.98 47.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -59.92 -32.29 70.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -57.72 -33.81 68.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -81.33 -22.9 38.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -52.92 51.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.492 ' C ' ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -90.66 17.73 7.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.97 -25.9 40.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.23 -30.72 10.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.089 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.44 -27.33 58.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.079 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.673 ' O ' HG22 ' A' ' 28' ' ' VAL . 49.7 t80 -75.97 -31.31 58.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.818 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -72.1 -30.13 64.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.836 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.4 mt -81.74 -38.88 16.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -30.71 71.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.673 HG22 ' O ' ' A' ' 24' ' ' PHE . 21.9 m -106.67 26.26 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.3 tt -54.22 -34.7 61.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -94.97 -33.26 6.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.505 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.17 111.59 17.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.756 0.312 . . . . 0.0 111.075 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -79.34 -26.76 42.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.94 -14.82 59.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.827 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.93 28.06 55.19 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -98.86 118.87 36.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.839 0.352 . . . . 0.0 110.837 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.482 ' CG2' HG12 ' A' ' 28' ' ' VAL . 1.3 pt -152.26 98.57 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.105 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.0 p -179.32 -60.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.806 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 44.6 p -54.32 -41.59 69.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.163 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.01 37.57 1.94 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -68.55 -40.57 80.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.5 mt -71.97 -45.63 60.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.14 -25.22 75.91 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.494 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -33.66 66.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.9 t -56.81 -38.45 58.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.123 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.7 mmt -68.52 -28.87 67.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.9 ttm-85 -66.8 -27.08 67.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 5.4 mtt -69.19 -24.65 64.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 75.7 mt -95.41 26.6 3.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.3 17.99 59.78 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.501 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.25 101.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.755 0.312 . . . . 0.0 110.932 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -116.0 160.56 34.9 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.541 0.686 . . . . 0.0 110.998 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 114.87 3.84 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.659 2.24 . . . . 0.0 112.386 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.516 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.93 -58.86 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.559 0.695 . . . . 0.0 111.181 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 53' ' ' THR . 54.5 Cg_endo -69.75 -10.32 28.27 Favored 'Trans proline' 0 N--CA 1.466 -0.135 0 C-N-CA 122.716 2.278 . . . . 0.0 112.403 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -55.64 -41.45 73.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.957 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -79.22 -32.55 43.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.1 mt -68.08 -27.15 66.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.13 -29.96 24.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -74.32 -35.8 63.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.98 -50.53 27.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.618 ' O ' HG12 ' A' ' 64' ' ' VAL . 29.5 pt -58.76 -25.0 27.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.089 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.98 -34.47 42.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.6 58.19 1.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.618 HG12 ' O ' ' A' ' 61' ' ' ILE . 10.9 p -117.07 -27.84 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.07 105.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -72.06 -35.45 69.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.9 p30 -77.62 -10.69 59.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.24 57.21 19.48 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.475 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 45.4 p -118.83 -36.56 3.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.91 0.386 . . . . 0.0 110.84 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 92.93 -20.11 47.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.461 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.2 t -143.2 165.97 25.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.87 0.367 . . . . 0.0 111.168 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.479 HG11 HG13 ' A' ' 36' ' ' ILE . 6.4 p -91.94 128.71 43.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.162 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -87.05 177.5 7.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -70.43 -40.87 73.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.648 ' O ' HG23 ' A' ' 79' ' ' VAL . 0.2 OUTLIER -72.66 -26.34 61.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -55.48 -52.87 62.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.39 -36.15 78.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 mp -58.6 -26.52 63.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 75' ' ' ASP . 91.3 t -62.51 -25.35 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -80.18 -26.11 39.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -25.88 60.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.899 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 79' ' ' VAL . 19.1 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.153 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.863 0.363 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.51 -26.2 53.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -52.81 -33.65 50.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -52.53 -32.32 40.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.6 p -59.54 -47.52 85.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.839 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -69.32 -41.25 76.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.511 HD12 ' HE2' ' A' ' 104' ' ' PHE . 3.3 mm? -56.48 -37.99 71.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -51.99 -56.59 13.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.67 -24.77 61.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.12 -25.5 62.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.839 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.511 ' HE2' HD12 ' A' ' 100' ' ' LEU . 6.0 m-85 -96.53 -22.87 16.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -77.03 60.49 1.84 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 45.1 mttm -66.41 -22.48 66.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.844 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -78.08 -9.08 58.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 46.53 34.39 2.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.082 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -104.43 4.67 33.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.99 -29.61 7.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.476 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -108.53 174.89 5.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.879 0.371 . . . . 0.0 110.938 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.58 ' HB ' HD12 ' A' ' 148' ' ' ILE . 23.7 mm -101.28 139.63 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.145 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.35 157.94 16.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.8 mt -59.22 -55.57 33.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -56.86 -21.67 31.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -81.62 -54.06 5.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.55 HD12 ' N ' ' A' ' 118' ' ' LYS . 1.6 pp -69.61 -49.53 53.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.55 ' N ' HD12 ' A' ' 117' ' ' LEU . 8.4 ptpt -60.91 -26.67 67.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.936 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -50.48 -29.79 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.1 ttt -70.23 -39.2 75.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.682 HD13 ' CG1' ' A' ' 128' ' ' ILE . 0.5 OUTLIER -76.24 -23.21 54.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.958 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.0 -14.5 63.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -89.03 -12.64 40.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.5 t -112.3 -43.35 3.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 57.38 34.84 69.2 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.471 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.36 -76.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.915 0.388 . . . . 0.0 110.882 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -166.8 27.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.682 ' CG1' HD13 ' A' ' 121' ' ' LEU . 17.3 pt -120.06 148.24 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 32.5 p -105.35 175.89 5.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -74.85 -38.87 61.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.83 -35.91 46.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.2 -47.56 15.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.537 HD12 ' CD1' ' A' ' 117' ' ' LEU . 0.4 OUTLIER -52.93 -27.3 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.172 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -56.67 -52.41 65.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.07 -29.88 68.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.03 -27.56 61.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 2.0 ttm -51.47 -46.04 62.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.53 -25.59 64.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -85.29 -0.58 55.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' GLY . . . . . 0.746 ' O ' HG23 ' A' ' 148' ' ' ILE . . . -131.1 -1.92 4.78 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.528 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 35.7 p-10 -100.38 -161.86 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.382 . . . . 0.0 110.844 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -76.21 8.55 3.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.825 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.5 m120 63.8 14.41 8.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -178.94 26.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -142.64 -4.27 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 50.2 27.94 12.18 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 7.4 mtt85 -138.8 134.02 32.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.35 . . . . 0.0 110.879 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.746 HG23 ' O ' ' A' ' 140' ' ' GLY . 3.2 mt -92.42 98.52 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.91 178.96 7.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -76.92 62.68 2.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' ASP . . . . . 0.47 ' O ' HD12 ' A' ' 154' ' ' LEU . 8.1 t70 -171.1 -37.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.921 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.966 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.47 HD12 ' O ' ' A' ' 151' ' ' ASP . 1.2 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.752 0.311 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -85.2 -8.01 58.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -40.25 -65.72 0.38 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -33.85 67.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.935 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.955 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.678 ' C ' HD13 ' A' ' 4' ' ' ILE . 5.6 m-20 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.748 0.309 . . . . 0.0 110.813 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.678 HD13 ' C ' ' A' ' 3' ' ' ASP . 0.2 OUTLIER 39.95 30.79 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.17 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.693 ' O ' HG23 ' A' ' 9' ' ' VAL . 20.0 m-85 -127.39 -69.53 0.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.46 -15.15 59.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.02 -33.0 22.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.076 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.1 -35.51 49.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 5' ' ' TYR . 99.3 t -62.22 -26.13 39.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.175 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -51.15 -47.8 62.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.1 -21.31 60.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.457 HD12 HE22 ' A' ' 16' ' ' GLN . 3.8 mm? -78.02 178.01 7.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.0 t -120.47 131.21 54.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -59.14 -26.83 65.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -56.44 -27.28 56.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.457 HE22 HD12 ' A' ' 12' ' ' LEU . 9.0 pt20 -56.81 -32.44 65.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.8 ttpp -58.19 -39.76 79.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.21 -22.82 38.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -64.96 -53.07 52.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.695 ' CZ ' HD13 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -90.74 17.69 7.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.84 -26.83 40.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.71 -29.73 10.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.135 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.96 -25.19 52.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -65.25 -43.52 91.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -28.42 67.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.5 mt -82.68 -35.28 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -58.37 8.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.661 HG12 HG21 ' A' ' 36' ' ' ILE . 19.2 m -97.13 26.45 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 30.2 tp -51.94 -30.07 23.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -102.66 -32.62 4.73 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.496 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.636 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . . . -57.1 123.99 17.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 0.0 111.05 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -93.01 -27.62 16.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.74 -14.89 59.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.814 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 60.91 27.32 66.73 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.455 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.6 t -111.2 112.93 25.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.864 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.661 HG21 HG12 ' A' ' 28' ' ' VAL . 5.0 pt -150.74 150.32 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.1 m -153.87 24.28 0.5 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.42 HG22 ' HA3' ' A' ' 42' ' ' GLY . 0.6 OUTLIER -55.31 -51.25 67.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.097 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.8 mttm 59.3 -116.99 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.572 ' O ' HG22 ' A' ' 44' ' ' VAL . 1.8 tt0 -95.92 -64.29 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 mp -52.34 -27.05 13.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.42 ' HA3' HG22 ' A' ' 38' ' ' THR . . . -81.65 -49.81 5.26 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.457 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -32.13 73.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.87 0.367 . . . . 0.0 110.951 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.572 HG22 ' O ' ' A' ' 40' ' ' GLU . 23.4 m -75.37 -39.92 42.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.424 ' N ' HG23 ' A' ' 44' ' ' VAL . 7.7 ptt? -76.98 -31.38 56.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -76.07 -34.92 59.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.815 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 20.0 mtt -84.24 -55.58 4.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.9 mt -68.99 -19.4 64.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 53.56 30.99 43.63 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.48 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -52.14 170.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.785 0.326 . . . . 0.0 110.918 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -51.85 160.9 1.01 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.668 0.747 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 130.44 19.31 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.711 2.274 . . . . 0.0 112.358 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.52 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.85 -58.93 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.511 0.672 . . . . 0.0 111.13 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 53' ' ' THR . 53.3 Cg_endo -69.78 -8.3 23.25 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.258 . . . . 0.0 112.31 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -55.52 -30.6 60.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -53.33 -29.9 36.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 61' ' ' ILE . 14.3 mt -52.04 -29.92 23.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -62.07 -37.77 86.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -75.53 -28.55 59.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.6 -46.14 23.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.567 HG23 ' O ' ' A' ' 57' ' ' LEU . 47.8 pt -58.66 -24.29 25.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.065 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -53.22 -28.63 27.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.906 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -114.93 71.97 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 61' ' ' ILE . 23.9 m -124.0 -37.59 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.108 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -53.1 102.9 0.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -73.63 -36.06 65.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.0 p-10 -80.8 -10.76 59.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.9 65.48 2.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.7 p -115.99 -36.19 4.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.935 0.398 . . . . 0.0 110.913 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.43 -24.65 30.95 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.533 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.9 t -121.14 165.61 15.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.773 0.321 . . . . 0.0 111.164 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.6 p -119.25 124.28 72.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.1 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.28 -175.99 4.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -61.56 -73.56 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.419 ' O ' HG23 ' A' ' 79' ' ' VAL . 0.2 OUTLIER -55.02 -28.83 55.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.6 -45.96 81.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.1 -51.56 69.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.695 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 2.3 mp -54.13 -38.4 65.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 75' ' ' ASP . 94.4 t -76.89 -22.9 14.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.88 -26.47 29.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -54.66 42.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 32.3 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 179.919 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.844 0.354 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -54.82 -26.68 36.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.53 -33.87 47.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.434 HD13 HD22 ' A' ' 154' ' ' LEU . 0.5 OUTLIER -55.47 -26.23 41.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.977 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 57.1 p -61.79 -33.13 73.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -66.93 -63.09 1.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.3 mp -56.5 -30.96 63.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -51.93 -57.44 9.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -75.79 -31.35 59.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -30.54 22.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -96.27 -26.43 15.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -68.24 87.19 0.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.802 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.0 mttp -88.27 -24.49 23.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 39.3 m-20 -80.75 -7.92 59.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 49.35 32.41 4.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.074 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.3 p-10 -96.45 2.61 52.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.35 -28.25 10.23 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.505 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -108.89 175.95 5.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.936 0.398 . . . . 0.0 110.92 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 12.7 mm -108.5 139.34 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.173 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.85 136.16 42.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.93 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.774 HD12 ' N ' ' A' ' 115' ' ' ASP . 0.6 OUTLIER -56.17 -21.66 24.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.981 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.774 ' N ' HD12 ' A' ' 114' ' ' LEU . 74.6 m-20 -78.7 -23.68 45.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.925 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -85.24 -49.91 7.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.573 HD12 ' N ' ' A' ' 118' ' ' LYS . 2.2 pp -64.29 -43.13 95.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.573 ' N ' HD12 ' A' ' 117' ' ' LEU . 17.5 ptpt -54.74 -25.52 28.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 71.2 mt -50.6 -29.92 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -61.64 1.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.768 HD21 HG12 ' A' ' 133' ' ' ILE . 2.1 pp -65.0 -16.87 63.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -82.84 -20.96 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.945 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.47 -70.15 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.4 HG23 ' N ' ' A' ' 125' ' ' GLY . 3.5 t -51.24 -44.29 61.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.15 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.4 ' N ' HG23 ' A' ' 124' ' ' THR . . . 56.98 33.5 64.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.503 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.565 ' O ' HG23 ' A' ' 127' ' ' THR . 5.7 tt0 -51.45 -75.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.908 0.385 . . . . 0.0 110.87 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 126' ' ' GLU . 0.2 OUTLIER -168.99 77.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.207 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.55 159.73 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.099 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 70.2 p -106.6 160.25 15.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.148 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -75.04 -24.47 58.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -60.57 -25.85 66.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.807 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.17 -43.6 23.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.82 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.768 HG12 HD21 ' A' ' 121' ' ' LEU . 0.4 OUTLIER -54.92 -27.3 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.181 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -63.91 -27.65 69.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.95 -29.54 55.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.54 -59.14 4.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.8 ttm -60.97 -29.23 69.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -69.22 -45.45 69.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -71.1 -47.48 57.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -52.86 -41.06 58.11 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.556 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -70.32 92.81 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.359 . . . . 0.0 110.843 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -105.27 -18.93 13.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -80.12 -6.68 58.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 63.42 80.69 0.22 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -150.35 -40.78 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 116.28 10.09 11.06 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -154.03 164.82 37.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.737 0.304 . . . . 0.0 110.908 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 13.6 mm -86.32 100.76 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.064 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.47 -170.99 2.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -74.82 -27.02 60.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.29 -12.26 35.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.434 HD22 HD13 ' A' ' 97' ' ' LEU . 5.4 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.74 0.305 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -68.62 -10.65 57.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.57 -64.68 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 8.6 mmt -76.08 60.42 1.43 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.945 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.775 0.321 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.541 ' N ' HD13 ' A' ' 4' ' ' ILE . 0.2 OUTLIER -49.71 -28.3 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.423 ' CD1' HG12 ' A' ' 4' ' ' ILE . 21.7 m-85 -109.2 -25.39 10.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -71.59 -26.68 62.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.63 -41.78 83.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.073 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.474 ' HB2' ' CG2' ' A' ' 82' ' ' VAL . . . -57.57 -43.34 84.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.2 t -53.57 -34.43 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -60.02 -42.31 94.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -104.64 24.37 11.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.605 HD21 ' HD2' ' A' ' 17' ' ' LYS . 5.3 tp -125.38 111.36 15.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.85 148.3 22.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -52.49 -34.33 48.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -60.22 -59.05 6.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -66.9 -31.5 72.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.943 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.605 ' HD2' HD21 ' A' ' 12' ' ' LEU . 9.6 ttpt -58.12 -22.0 48.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.409 ' HA ' ' HG2' ' A' ' 21' ' ' LYS . 3.5 t-20 -87.3 -24.31 24.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.76 -46.88 9.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.638 ' CE1' HD12 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -65.84 -10.78 41.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.682 ' HB2' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -88.44 -13.06 41.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.447 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -67.45 -46.97 71.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.04 -23.62 47.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -74.62 -30.78 61.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -76.62 -27.27 55.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.844 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.447 HG23 ' O ' ' A' ' 22' ' ' ALA . 0.1 OUTLIER -84.12 -28.07 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -41.5 75.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.496 ' HB ' ' HB3' ' A' ' 31' ' ' ALA . 22.8 m -95.37 26.5 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.104 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.9 tt -51.89 -30.33 23.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -90.96 -21.83 34.85 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.438 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.496 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . . . -91.06 124.22 35.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.742 0.306 . . . . 0.0 111.07 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -93.17 -25.65 17.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.09 -14.89 61.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.01 17.95 68.32 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.465 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.4 m -112.61 125.4 54.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.346 . . . . 0.0 110.857 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.434 HG21 HG12 ' A' ' 28' ' ' VAL . 1.3 pt -152.91 100.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.163 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 p -158.6 26.28 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.2 -37.11 24.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.179 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -173.33 64.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -88.57 -34.9 17.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.601 HD21 HG21 ' A' ' 61' ' ' ILE . 3.4 pp -69.97 -41.1 74.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.444 ' N ' HD12 ' A' ' 41' ' ' LEU . . . -76.1 -25.19 67.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.476 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.81 -25.65 56.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 41' ' ' LEU . 18.6 m -54.15 -30.52 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.12 -28.75 64.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -75.82 -34.24 60.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -26.7 38.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 75.9 mt -105.05 -19.09 13.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.66 46.67 13.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -97.32 -176.15 3.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.792 0.329 . . . . 0.0 110.927 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -72.6 160.6 82.41 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.649 0.738 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 153.69 68.67 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.692 2.261 . . . . 0.0 112.34 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.517 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.89 -58.89 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.584 0.707 . . . . 0.0 111.151 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 53' ' ' THR . 53.4 Cg_endo -69.77 -14.48 36.12 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.682 2.255 . . . . 0.0 112.338 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -55.72 -30.92 61.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -66.89 -30.26 70.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.432 HD13 ' CD1' ' A' ' 41' ' ' LEU . 9.8 mt -55.14 -27.09 42.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -51.98 -35.19 45.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -75.3 -31.23 60.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.0 -47.14 30.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.669 ' O ' HG12 ' A' ' 64' ' ' VAL . 47.0 pt -58.56 -25.31 27.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -52.02 -30.05 23.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -128.67 50.64 2.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.669 HG12 ' O ' ' A' ' 61' ' ' ILE . 11.1 p -112.07 -25.35 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.153 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.66 102.85 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -72.52 -32.69 66.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -74.67 -10.73 59.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 62.28 63.26 4.86 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 80.8 p -121.08 -34.18 3.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 110.841 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.25 -26.75 15.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.449 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.8 t -122.2 173.23 7.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.817 0.341 . . . . 0.0 111.14 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.1 t -113.38 119.17 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.13 -170.32 2.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.567 ' O ' HD23 ' A' ' 78' ' ' LEU . 9.9 m-85 -88.55 -28.07 20.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -66.67 -50.73 61.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.833 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -69.21 -30.23 68.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -73.47 -49.95 24.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.682 HD11 ' HB2' ' A' ' 21' ' ' LYS . 2.5 mm? -51.68 -43.28 62.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.652 ' O ' HG12 ' A' ' 82' ' ' VAL . 14.7 p -75.35 -24.78 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.3 mtp -68.24 -17.09 64.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.84 -34.71 41.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.652 HG12 ' O ' ' A' ' 79' ' ' VAL . 6.8 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.104 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.829 0.347 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.49 -40.24 92.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -69.3 -34.08 74.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.402 ' HB3' HD22 ' A' ' 154' ' ' LEU . 5.5 mt -55.43 -30.78 61.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.43 -24.11 50.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -86.27 -47.89 9.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.632 HD12 ' HE2' ' A' ' 104' ' ' PHE . 4.4 mm? -62.2 -31.86 72.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -59.6 -56.52 20.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -75.53 -25.08 56.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 13.5 tpt -70.39 -44.86 67.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.632 ' HE2' HD12 ' A' ' 100' ' ' LEU . 8.6 m-85 -77.63 -11.72 59.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -76.58 62.86 1.99 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -67.13 -14.33 62.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -76.02 -8.57 57.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 48.86 31.95 3.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 53.8 p-10 -115.79 -13.08 11.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 105.28 -19.73 39.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.484 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -109.07 175.87 5.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.886 0.374 . . . . 0.0 110.888 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 11.7 mm -102.82 137.67 30.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.159 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -110.63 158.86 18.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 14.1 mt -53.43 -50.65 64.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.729 ' O ' HD12 ' A' ' 119' ' ' ILE . 1.6 m-20 -53.47 -44.53 69.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.848 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -57.88 -54.89 41.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.576 ' CD1' HD11 ' A' ' 133' ' ' ILE . 2.9 pp -68.36 -24.65 64.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.609 ' HG3' HD12 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -58.17 -50.59 73.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.786 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.729 HD12 ' O ' ' A' ' 115' ' ' ASP . 2.4 mp -57.49 -35.52 50.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.4 tpt -62.66 -61.47 2.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 1.044 HD13 HD11 ' A' ' 128' ' ' ILE . 1.6 pp -66.87 -20.13 65.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -67.64 -25.03 65.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.22 -18.37 65.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.091 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -167.4 -65.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.179 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 89.8 -15.6 58.73 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.464 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 71.62 -70.5 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.947 0.403 . . . . 0.0 110.897 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -167.51 28.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 1.044 HD11 HD13 ' A' ' 121' ' ' LEU . 1.8 pt -93.3 167.88 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.66 177.31 4.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.159 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.488 ' O ' HG22 ' A' ' 133' ' ' ILE . 17.7 mt-10 -68.92 -49.0 61.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -68.88 -18.97 64.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.58 -29.27 69.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.609 HD12 ' HG3' ' A' ' 118' ' ' LYS . 3.5 tt -49.3 -32.35 5.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.093 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.41 -42.99 67.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -68.79 -30.06 68.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.15 -58.88 6.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 15.8 tpt -59.59 -54.19 49.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 15.5 mmtt -51.73 -43.41 62.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -71.89 -25.53 61.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' GLY . . . . . 0.582 ' HA3' HD11 ' A' ' 148' ' ' ILE . . . -55.54 -50.69 59.15 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.465 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -81.58 130.6 35.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.852 0.358 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.02 -11.58 9.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -67.28 -77.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 175.38 -36.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.63 -35.01 40.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 104.52 -11.69 50.59 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.455 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -112.39 157.75 20.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.827 0.346 . . . . 0.0 110.827 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.582 HD11 ' HA3' ' A' ' 140' ' ' GLY . 22.4 mt -88.39 138.27 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -134.32 -162.7 1.28 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -75.25 60.57 1.1 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -175.99 -36.42 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 28.5 mp0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.91 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.402 HD22 ' HB3' ' A' ' 97' ' ' LEU . 1.9 mt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.734 0.302 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -85.33 -8.33 58.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.851 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -41.14 -65.86 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 3.2 ptp -116.22 30.86 7.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.943 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.835 0.35 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.707 ' HB2' ' HB2' ' A' ' 7' ' ' ALA . 10.2 m-20 64.65 155.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.84 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.39 -57.88 3.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.545 HG23 ' CD1' ' A' ' 5' ' ' TYR . 2.5 tp -164.54 -36.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.186 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.545 ' CD1' HG23 ' A' ' 4' ' ' ILE . 1.4 m-85 -98.3 -30.53 12.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.961 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.479 ' O ' HG12 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -70.64 -12.19 61.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.707 ' HB2' ' HB2' ' A' ' 2' ' ' ASP . . . -87.96 -46.26 9.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.564 ' HB2' ' CG2' ' A' ' 82' ' ' VAL . . . -64.76 -37.75 88.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.479 HG12 ' O ' ' A' ' 6' ' ' LYS . 8.2 p -51.52 -30.64 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -59.52 -40.12 86.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -107.68 10.77 28.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.595 HD21 ' OE1' ' A' ' 16' ' ' GLN . 8.2 tp -120.6 140.02 52.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.537 ' N ' HD12 ' A' ' 12' ' ' LEU . 9.9 t -92.64 130.8 38.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.152 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -67.45 -18.25 65.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.67 -26.21 31.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.595 ' OE1' HD21 ' A' ' 12' ' ' LEU . 4.6 pt20 -55.42 -31.02 61.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.41 -39.03 56.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -81.26 -22.99 38.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -65.26 -52.76 52.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.52 ' CZ ' HD13 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -89.93 16.77 7.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.91 -27.26 36.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.927 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.27 -58.53 5.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.07 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.08 -25.8 65.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.515 ' O ' HG22 ' A' ' 28' ' ' VAL . 28.2 t80 -75.27 -48.21 24.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.3 -30.37 69.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.5 mt -79.63 -25.18 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -85.02 -28.97 25.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.567 HG12 HG23 ' A' ' 36' ' ' ILE . 34.1 m -97.04 25.53 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.6 -37.98 63.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -98.99 -21.07 16.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.539 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.434 ' HB1' ' H ' ' A' ' 35' ' ' SER . . . -78.92 126.56 30.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.745 0.307 . . . . 0.0 111.118 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -88.5 -31.32 18.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -104.24 24.36 11.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.825 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 66.33 25.39 72.45 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.434 ' H ' ' HB1' ' A' ' 31' ' ' ALA . 92.4 p -80.9 108.51 14.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.83 0.348 . . . . 0.0 110.881 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.567 HG23 HG12 ' A' ' 28' ' ' VAL . 1.0 OUTLIER -147.5 -179.09 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.166 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.48 135.78 35.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.819 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.8 p -75.61 -27.1 58.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.129 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.87 103.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -92.5 -56.36 3.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.839 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.6 mt -71.29 -46.24 61.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.92 -25.91 39.33 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.5 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.78 -50.33 25.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.1 m -70.63 -26.68 28.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.13 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -45.33 39.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -74.07 -27.84 61.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 9.1 mtt -56.94 -27.92 61.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.2 mt -70.08 -18.95 63.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.969 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 79.4 46.81 7.81 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -94.49 -171.72 2.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.821 0.343 . . . . 0.0 110.899 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -53.0 160.49 1.5 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.609 0.719 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 142.33 47.47 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.723 2.282 . . . . 0.0 112.298 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.517 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.88 -58.9 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.563 0.697 . . . . 0.0 111.17 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 53' ' ' THR . 53.0 Cg_endo -69.79 -14.62 36.24 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.648 2.232 . . . . 0.0 112.316 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.75 -35.03 65.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.927 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -79.54 -30.38 41.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.4 mt -60.11 -26.98 66.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -72.31 -24.51 61.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -75.44 -50.03 17.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.423 ' HG3' HG23 ' A' ' 61' ' ' ILE . 19.8 ptp -58.59 -42.04 87.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.423 HG23 ' HG3' ' A' ' 60' ' ' MET . 22.1 pt -77.31 -23.61 14.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.137 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.53 -38.88 64.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -125.88 37.58 4.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.493 HG23 ' OG ' ' A' ' 89' ' ' SER . 6.9 p -56.26 -25.51 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.132 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.14 103.3 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -86.71 -37.14 18.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -71.61 -10.66 60.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 64.81 61.66 5.67 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 p -105.6 -43.69 4.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.903 0.382 . . . . 0.0 110.801 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 130.47 -29.71 3.58 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.54 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.1 t -150.45 171.04 17.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.802 0.334 . . . . 0.0 111.163 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.0 t -112.6 124.87 69.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.066 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -81.75 155.87 25.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -55.66 -39.38 70.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -66.26 -42.75 88.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.944 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -55.23 -30.1 59.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -74.48 -43.51 55.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.52 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 1.0 OUTLIER -57.27 -52.09 66.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.536 HG12 ' HB3' ' A' ' 5' ' ' TYR . 12.6 m -59.26 -19.19 15.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.6 ttp -75.78 -11.05 59.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -78.59 -56.47 4.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.564 ' CG2' ' HB2' ' A' ' 8' ' ' ALA . 2.8 p -51.82 -44.07 36.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.37 -36.61 71.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.6 m 56.66 84.83 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.2 ptt? -64.3 -16.63 62.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? 69.21 -75.49 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -150.25 177.13 10.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 61.4 170.27 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.493 ' OG ' HG23 ' A' ' 64' ' ' VAL . 0.3 OUTLIER -179.36 -35.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 -179.786 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.16 -170.3 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.917 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -159.88 119.98 0.93 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.452 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? 63.02 165.32 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.776 0.322 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.66 168.8 10.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -68.88 -49.23 60.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 29.0 tp10 -78.19 -25.53 47.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -70.29 -33.5 71.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.7 mt -53.45 -38.99 64.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.17 -26.65 66.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.801 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -92.73 -49.84 5.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.843 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.0 mp -58.94 -37.01 75.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -51.93 -56.52 13.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.954 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.33 -25.45 57.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.4 tpt -64.22 -27.58 69.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -96.4 -21.44 17.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.841 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -77.29 59.87 1.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.946 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 32.6 mttp -67.6 -17.88 64.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -74.05 -7.78 53.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 49.7 31.36 4.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 41.4 p-10 -105.29 -14.87 15.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 106.14 -23.06 29.9 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -108.43 174.15 6.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.918 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.406 ' HB ' HG13 ' A' ' 148' ' ' ILE . 15.3 mm -106.75 140.37 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.089 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -108.77 163.15 13.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.9 mt -62.22 -55.53 27.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -58.16 -21.38 46.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -81.74 -53.84 5.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.851 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.525 HD21 ' HG3' ' A' ' 137' ' ' MET . 1.7 pp -68.32 -49.02 63.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.602 ' CB ' HG21 ' A' ' 133' ' ' ILE . 8.5 ptpt -61.97 -27.36 68.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -50.89 -30.23 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.209 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 5.6 ttp -60.39 -58.87 6.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.715 ' CD2' HD13 ' A' ' 133' ' ' ILE . 0.8 OUTLIER -58.37 -22.91 55.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -64.73 -25.85 68.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -116.68 75.06 0.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.8 t -176.04 -37.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.189 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 104.02 33.38 4.05 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.535 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.97 168.93 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.925 0.393 . . . . 0.0 110.882 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 11.3 t -117.2 39.48 3.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 30.7 pt -131.09 165.64 30.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.58 160.58 30.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.103 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.673 ' O ' HG22 ' A' ' 133' ' ' ILE . 6.5 mt-10 -74.69 -37.77 62.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -77.49 -23.58 50.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -56.51 -43.03 79.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.819 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.715 HD13 ' CD2' ' A' ' 121' ' ' LEU . 1.1 tp -52.72 -28.51 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -53.48 -31.1 44.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -75.25 -30.37 60.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.39 -53.8 42.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.525 ' HG3' HD21 ' A' ' 117' ' ' LEU . 1.4 tmt? -51.99 -37.73 54.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.35 -35.13 62.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.84 -23.65 39.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -52.07 -33.1 36.6 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.531 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -51.81 156.06 1.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.838 0.352 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -162.31 -39.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -86.52 6.84 28.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 63.64 87.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -160.46 -40.2 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 109.36 16.02 11.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.423 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -154.09 165.85 34.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.822 0.344 . . . . 0.0 110.837 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.406 HG13 ' HB ' ' A' ' 112' ' ' ILE . 24.3 mm -86.07 139.84 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.175 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -132.76 -171.76 2.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -77.35 59.96 1.93 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.56 -34.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.875 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -72.63 -43.36 63.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.936 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' FTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 2.3 mt -73.92 -57.57 3.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -68.59 -11.01 59.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -43.47 -64.53 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 8.5 mmt -75.59 60.36 1.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.936 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -14.61 62.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 152.8 46.51 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.567 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 22.1 t -100.74 136.45 32.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.346 . . . . 0.0 111.073 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.99 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.0 mtt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.752 0.311 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -138.1 -179.87 6.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -79.57 -15.07 58.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.42 ' H ' HD13 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -94.89 -22.03 5.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.094 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.722 ' O ' HG23 ' A' ' 9' ' ' VAL . 9.2 m-85 -100.26 -22.31 15.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.04 -36.6 55.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.87 -26.28 61.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.074 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.549 ' HB3' HG12 ' A' ' 82' ' ' VAL . . . -75.96 -44.26 40.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 5' ' ' TYR . 66.2 t -54.86 -26.47 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -51.68 -47.78 63.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.58 -21.47 60.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.597 HD12 HE22 ' A' ' 16' ' ' GLN . 4.0 mm? -76.02 177.85 6.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.1 p -117.92 131.25 56.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -65.27 -25.69 67.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -54.95 -27.67 45.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.597 HE22 HD12 ' A' ' 12' ' ' LEU . 6.1 pt20 -62.25 -32.15 72.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.86 -24.38 66.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.423 ' HA ' ' HG2' ' A' ' 21' ' ' LYS . 7.4 t-20 -87.36 -24.34 24.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -87.73 -47.25 8.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.487 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -65.28 -11.39 40.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.864 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.423 ' HG2' ' HA ' ' A' ' 18' ' ' ASN . 0.0 OUTLIER -88.19 3.33 49.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -113.26 -45.52 3.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.95 -29.85 55.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.041 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.735 ' O ' HG22 ' A' ' 28' ' ' VAL . 66.1 t80 -51.9 -31.74 29.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.74 -42.27 99.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 26.2 mt -83.29 -32.69 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.099 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -49.73 75.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.735 HG22 ' O ' ' A' ' 24' ' ' PHE . 13.5 m -95.36 26.3 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.413 HD23 ' O ' ' A' ' 29' ' ' LEU . 8.3 tt -52.08 -29.97 23.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.972 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -94.26 -19.46 33.0 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.512 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -102.81 115.81 31.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.764 0.316 . . . . 0.0 111.044 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -93.39 -25.37 17.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.24 -14.75 61.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.881 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.32 28.47 59.89 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.503 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.13 100.56 11.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.369 . . . . 0.0 110.858 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.635 HG21 HG12 ' A' ' 28' ' ' VAL . 13.2 tt -164.28 143.52 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.161 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.3 p -93.45 168.79 10.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 20.8 m -80.17 -27.08 39.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -51.76 103.2 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.592 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -92.69 -24.93 18.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.24 -35.26 49.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.11 -38.46 34.9 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.477 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.0 tptt -64.89 -26.31 68.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.769 0.319 . . . . 0.0 110.816 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 40' ' ' GLU . 48.7 t -54.08 -49.57 60.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.105 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 17.2 mmt -55.9 -45.68 78.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.805 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -69.22 -26.3 64.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.52 -33.15 59.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.811 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.2 mt -115.74 25.4 10.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 53.96 25.96 32.62 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.479 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -64.44 -177.13 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.855 0.36 . . . . 0.0 110.857 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -52.09 160.65 1.14 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.608 0.718 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 156.51 63.1 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.745 2.296 . . . . 0.0 112.289 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.518 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.82 -58.93 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.498 0.666 . . . . 0.0 111.088 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 53' ' ' THR . 54.0 Cg_endo -69.78 -22.44 32.0 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.656 2.237 . . . . 0.0 112.326 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -59.65 -35.43 74.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -78.27 -32.57 49.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' ' 54' ' ' PRO . 78.4 mt -54.67 -27.12 37.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.462 ' HG3' HD11 ' A' ' 61' ' ' ILE . 23.2 tt0 -53.26 -28.63 28.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -64.02 -32.53 74.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -50.58 49.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.462 HD11 ' HG3' ' A' ' 58' ' ' GLN . 28.6 pt -67.65 -26.65 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.34 -32.97 58.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -143.0 63.36 1.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.1 p -113.65 -36.15 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.173 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -75.08 145.14 42.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -71.28 -25.83 62.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -70.86 -10.67 60.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.17 46.39 94.6 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.526 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.7 p -103.96 -27.36 12.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.891 0.376 . . . . 0.0 110.893 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 79.92 18.8 71.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.534 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.6 t -152.59 147.84 26.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.808 0.337 . . . . 0.0 111.168 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -120.72 128.56 76.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -83.86 -169.41 2.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.828 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -61.06 -30.6 70.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.565 ' O ' HG23 ' A' ' 79' ' ' VAL . 0.4 OUTLIER -73.7 -53.27 10.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -64.94 -33.29 75.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -56.32 -50.82 70.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.4 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 0.4 OUTLIER -62.94 -37.23 86.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.585 ' O ' HG22 ' A' ' 82' ' ' VAL . 80.8 t -57.67 -26.16 26.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -23.4 62.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 15.1 mmt -52.67 -30.62 32.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.789 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.585 HG22 ' O ' ' A' ' 79' ' ' VAL . 18.1 m -59.08 -30.23 43.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -61.38 -48.18 82.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.11 -170.27 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -16.95 64.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.1 179.85 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -119.26 -175.61 2.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -60.77 149.76 34.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.941 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 26.2 p -173.92 53.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.22 162.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 99.17 145.51 18.6 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.47 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -102.35 46.66 0.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.771 0.32 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.6 m -113.83 -169.95 1.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.955 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -56.77 -24.24 48.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -51.74 -37.42 51.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.811 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.533 ' O ' HD13 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -76.58 -33.32 58.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.61 HD23 ' HA ' ' A' ' 154' ' ' LEU . 3.7 mp -70.43 -25.85 63.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 m -77.77 -25.97 49.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -94.44 -40.94 9.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.533 HD13 ' O ' ' A' ' 96' ' ' GLU . 6.1 mp -56.08 -32.08 63.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -57.96 -56.59 20.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.43 -24.63 59.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 3.4 tmm? -69.0 -53.0 22.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -65.07 -15.19 62.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -74.84 71.35 2.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.8 mttp -71.9 -26.11 62.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -74.0 -7.69 53.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 50.64 29.57 4.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 41.2 p-10 -100.92 -0.43 36.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.07 -23.53 29.0 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.518 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -109.22 175.88 5.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.851 0.358 . . . . 0.0 110.921 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.559 ' HB ' HD12 ' A' ' 148' ' ' ILE . 24.1 mm -103.19 139.75 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.103 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -109.76 165.6 11.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.4 mt -60.99 -54.81 40.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.405 ' HA ' ' HG2' ' A' ' 118' ' ' LYS . 76.9 m-20 -57.66 -20.87 36.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -81.4 -54.55 5.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.513 HD23 HG22 ' A' ' 112' ' ' ILE . 1.0 OUTLIER -70.94 -49.29 47.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.531 ' HA ' HD23 ' A' ' 121' ' ' LEU . 7.9 ptpt -59.0 -27.58 65.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -50.73 -29.8 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.083 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.92 -48.92 27.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.691 ' O ' HG22 ' A' ' 124' ' ' THR . 0.7 OUTLIER -68.92 -23.38 64.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.895 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -25.0 66.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -109.45 66.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.053 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.691 HG22 ' O ' ' A' ' 121' ' ' LEU . 14.6 t -165.88 28.8 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.151 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 93.07 -15.12 63.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.466 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 52.12 87.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.914 0.388 . . . . 0.0 110.926 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 16.8 p -91.32 -20.49 21.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.141 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.638 HD12 ' HB3' ' A' ' 132' ' ' ASP . 37.5 pt -113.07 169.94 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.5 p -105.44 173.06 6.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -57.24 -26.01 60.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -66.26 -25.74 67.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.638 ' HB3' HD12 ' A' ' 128' ' ' ILE . 13.2 t0 -79.06 -38.64 35.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.831 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.409 HD13 ' O ' ' A' ' 133' ' ' ILE . 0.4 OUTLIER -52.67 -28.54 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.37 -42.17 98.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.87 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -77.16 -30.11 54.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.927 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.29 -59.22 4.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.937 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -40.01 92.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.814 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -53.34 -32.68 50.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.908 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -83.93 -24.44 30.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -70.86 -59.58 5.05 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.49 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -77.71 90.08 3.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.858 0.361 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 7.6 tptp -114.58 16.98 17.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -99.01 21.6 11.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.0 t30 51.56 30.46 6.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -105.32 -26.11 12.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 87.55 4.21 80.26 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -153.98 156.84 38.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.788 0.327 . . . . 0.0 110.816 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.559 HD12 ' HB ' ' A' ' 112' ' ' ILE . 2.5 mt -85.44 109.0 17.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.144 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -106.43 -168.53 1.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.71 61.83 1.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -174.57 -36.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.76 -36.45 31.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 153' ' ' FTR . . . . . 0.491 ' F ' HG21 ' A' ' 112' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.61 ' HA ' HD23 ' A' ' 97' ' ' LEU . 10.5 mt -72.65 -52.21 16.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.907 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -71.52 -10.49 59.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.406 ' CE2' HD13 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -42.47 -65.43 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 2.6 ptp -109.83 63.37 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.95 -165.41 1.22 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -71.64 -114.82 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.476 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 26.5 m -78.4 136.48 23.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.793 0.33 . . . . 0.0 111.104 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.812 0.339 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -124.41 38.05 4.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -59.9 -26.84 66.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -52.85 -29.91 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.696 ' O ' HG23 ' A' ' 9' ' ' VAL . 17.7 m-85 -95.48 -54.14 3.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -51.88 -29.64 20.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.842 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.97 -53.33 55.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.102 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.643 ' HB2' HG12 ' A' ' 82' ' ' VAL . . . -71.04 -37.51 72.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 5' ' ' TYR . 91.1 t -54.06 -27.37 16.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.146 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -61.67 -18.28 58.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -122.38 -0.28 9.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.545 HD23 ' HA ' ' A' ' 9' ' ' VAL . 0.5 OUTLIER -51.0 114.47 1.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.926 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.7 p -146.58 163.35 36.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.091 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.08 -22.88 52.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -68.84 -42.32 77.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -75.64 -31.64 59.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -68.72 -42.79 77.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -82.03 -22.91 36.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -65.3 -52.16 55.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.491 ' C ' ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -90.99 17.43 7.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.24 -26.17 39.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.97 -39.81 69.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.15 -49.53 23.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.089 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.495 ' O ' HG22 ' A' ' 28' ' ' VAL . 1.2 m-85 -52.24 -33.76 42.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.68 -38.03 69.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 36.0 mt -80.45 -29.29 12.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.39 -42.5 78.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.83 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.608 HG11 HG21 ' A' ' 36' ' ' ILE . 32.7 m -99.62 25.57 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.5 tt -52.59 -29.82 27.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.52 -27.29 36.19 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.524 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.66 88.74 5.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.752 0.311 . . . . 0.0 111.109 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.28 -26.9 65.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -73.86 -14.95 61.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.42 28.31 55.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.541 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.9 t -97.29 108.48 21.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 110.849 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.608 HG21 HG11 ' A' ' 28' ' ' VAL . 15.1 tt -161.59 141.99 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.099 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.53 -74.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.72 -27.14 20.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.151 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -51.9 -31.78 29.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -57.57 -35.14 69.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.533 ' O ' HG12 ' A' ' 44' ' ' VAL . 18.5 mt -70.07 -61.96 1.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.86 -25.35 36.94 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.457 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.9 tptt -57.23 -26.36 60.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.821 0.343 . . . . 0.0 110.927 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.533 HG12 ' O ' ' A' ' 41' ' ' LEU . 10.8 p -54.46 -30.39 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -75.6 -36.19 60.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -69.93 -32.62 71.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 9.7 ttm -56.31 -29.88 61.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.1 mt -82.65 -19.04 39.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.29 46.51 49.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.486 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -114.45 -171.35 1.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.802 0.334 . . . . 0.0 110.899 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -53.29 160.68 1.63 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.573 0.702 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 171.24 14.85 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.722 2.282 . . . . 0.0 112.303 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.515 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.91 -58.98 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.583 0.706 . . . . 0.0 111.09 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 53' ' ' THR . 53.9 Cg_endo -69.73 -10.79 29.44 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.649 2.233 . . . . 0.0 112.404 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -65.62 -31.04 71.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -69.14 -50.12 50.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.32 -27.09 61.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -52.46 -35.43 52.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.96 -30.83 61.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.59 -47.06 28.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.567 ' O ' HG12 ' A' ' 64' ' ' VAL . 45.4 pt -58.54 -24.08 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.097 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.01 -30.2 24.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -119.61 57.71 0.9 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.567 HG12 ' O ' ' A' ' 61' ' ' ILE . 10.6 p -116.09 -23.17 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -51.84 103.49 0.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -63.5 -23.05 67.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -70.26 -10.83 60.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 58.85 19.74 45.17 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.48 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.9 p -93.23 -26.3 17.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.861 0.363 . . . . 0.0 110.84 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.34 19.62 64.48 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.5 t -149.28 142.17 24.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.85 0.357 . . . . 0.0 111.183 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.4 p -91.34 123.84 43.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.111 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.17 -177.36 5.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -58.26 -68.56 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.556 ' O ' HG23 ' A' ' 79' ' ' VAL . 2.0 p-10 -65.89 -32.12 73.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -56.11 -33.05 64.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.97 -38.22 81.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -78.94 -24.23 44.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.592 ' O ' HG22 ' A' ' 82' ' ' VAL . 21.6 t -79.84 -21.04 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -13.03 61.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -75.84 -24.1 55.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.823 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.643 HG12 ' HB2' ' A' ' 8' ' ' ALA . 5.3 m -59.66 -28.08 39.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.147 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -71.15 -47.42 57.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.94 -30.35 24.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -109.74 56.43 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.829 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -179.48 -34.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -110.43 150.3 29.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -179.12 98.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.71 162.49 3.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -151.61 -174.64 4.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 141.58 -176.55 21.8 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.503 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.61 -173.58 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.774 0.321 . . . . 0.0 110.945 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 m -120.29 95.45 4.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -76.9 -20.62 56.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -51.42 -47.02 63.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.434 ' O ' HD13 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -68.38 -33.06 73.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.56 HD23 HD22 ' A' ' 154' ' ' LEU . 1.9 mp -67.44 -25.85 66.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 62.1 m -76.89 -34.71 57.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -86.21 -32.39 21.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.434 HD13 ' O ' ' A' ' 96' ' ' GLU . 2.4 mp -56.39 -37.19 69.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -56.59 -56.63 18.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.62 -28.21 66.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 8.7 ttt -72.41 -28.11 62.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -96.51 -25.71 15.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -76.2 67.25 2.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -79.65 -19.25 49.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -74.09 -7.82 53.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 49.97 32.04 5.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.085 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -102.86 -18.57 15.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.816 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 109.68 -34.27 5.57 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -109.3 169.65 8.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.909 0.385 . . . . 0.0 110.89 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.585 ' HB ' HD12 ' A' ' 148' ' ' ILE . 12.6 mm -95.73 134.89 31.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.3 168.13 9.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.576 HD23 ' HG3' ' A' ' 137' ' ' MET . 16.2 mt -55.14 -55.44 31.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.452 ' O ' HG13 ' A' ' 119' ' ' ILE . 2.2 m-20 -55.76 -20.22 14.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -87.87 -54.77 4.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.739 HD12 HD11 ' A' ' 133' ' ' ILE . 0.8 OUTLIER -67.01 -45.02 78.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.879 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.2 ptpt -52.3 -24.08 6.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 115' ' ' ASP . 70.5 mt -49.15 -35.75 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.121 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 4.0 ppp? -53.4 -39.06 63.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.36 -21.69 33.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -59.25 -27.05 65.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -84.72 -48.04 9.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 41.4 p -51.8 -60.82 2.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.136 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 87.92 26.8 28.09 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.54 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -57.81 -179.51 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.925 0.393 . . . . 0.0 110.92 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.8 t -105.27 67.72 0.79 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -124.74 176.37 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 70.4 p -97.35 160.61 14.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.219 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.556 ' O ' HG22 ' A' ' 133' ' ' ILE . 0.3 OUTLIER -70.71 -24.7 62.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.875 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.03 -19.3 58.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.939 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.43 -29.84 70.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.739 HD11 HD12 ' A' ' 117' ' ' LEU . 11.2 tp -51.63 -29.64 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -54.19 -27.04 31.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -73.92 -34.13 64.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.462 HD12 HD12 ' A' ' 133' ' ' ILE . 1.5 mt -64.59 -59.01 4.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.614 ' HG3' HD21 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -54.52 -36.85 64.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.809 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 18.5 tptt -51.39 -41.21 60.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.949 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -83.87 -21.39 31.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.8 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -64.14 -61.07 6.4 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -53.76 173.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.61 -40.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 62.8 m-20 -67.36 -79.68 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 176.03 -33.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -50.8 -30.56 14.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 91.23 8.62 64.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -112.39 143.79 42.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.311 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.585 HD12 ' HB ' ' A' ' 112' ' ' ILE . 4.5 mt -85.13 129.63 37.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.087 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -117.39 -166.71 1.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -70.06 -29.2 66.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.26 -30.53 17.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.37 -38.36 30.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 153' ' ' FTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.56 HD22 HD23 ' A' ' 97' ' ' LEU . 1.5 mt -75.78 -43.36 46.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -69.8 -10.99 60.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -44.51 -65.53 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -78.44 -30.84 47.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.856 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 1.1 tptp 63.25 105.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -55.03 -43.64 83.09 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.506 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 7.1 p -82.61 138.88 18.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.795 0.331 . . . . 0.0 111.101 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.846 0.355 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.42 ' HB2' HG22 ' A' ' 4' ' ' ILE . 4.4 m-20 63.71 159.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -73.17 -19.6 61.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.621 HG23 ' CD1' ' A' ' 5' ' ' TYR . 4.6 tp -68.41 -26.19 33.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.738 ' O ' HG23 ' A' ' 9' ' ' VAL . 2.7 m-85 -114.25 -24.83 8.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -72.3 -25.69 61.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.73 -37.56 67.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.89 -33.23 65.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 5' ' ' TYR . 96.1 t -54.67 -26.41 16.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -65.8 -43.41 88.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -81.76 -25.23 35.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.459 ' CD1' HD13 ' A' ' 78' ' ' LEU . 1.6 mm? -55.45 133.5 50.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.558 HG22 ' OE1' ' A' ' 16' ' ' GLN . 2.4 t -146.53 142.11 27.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.166 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -55.8 -25.61 42.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -58.46 -58.29 9.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.558 ' OE1' HG22 ' A' ' 13' ' ' THR . 6.9 pt20 -75.62 -32.02 60.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.4 ttmt -60.83 -36.58 79.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -81.9 -22.92 36.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -65.23 -52.33 55.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.544 ' CZ ' HD12 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -91.16 17.56 8.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.899 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.83 -27.61 40.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -102.83 -28.67 11.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.81 -26.0 53.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.086 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.543 ' O ' HG22 ' A' ' 28' ' ' VAL . 24.5 t80 -64.55 -47.21 79.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.67 -30.4 71.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.4 mt -81.04 -26.51 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.075 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.4 -38.6 49.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 24' ' ' PHE . 27.2 m -99.77 25.14 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.4 tp -54.47 -29.26 49.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -77.5 -46.55 9.79 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.526 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.56 131.61 46.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -91.91 -34.16 14.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.18 -14.83 58.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.11 25.09 62.51 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.448 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.471 ' HA ' HG12 ' A' ' 72' ' ' VAL . 1.7 p -124.64 136.76 54.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.854 0.359 . . . . 0.0 110.812 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.9 pt -149.89 152.22 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.132 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.528 ' HB3' HD13 ' A' ' 61' ' ' ILE . 1.4 p -109.93 -23.25 11.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.3 -49.42 61.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.15 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.6 tttm 65.95 -126.41 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -98.12 -51.17 4.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.769 ' C ' HD22 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -70.77 -9.45 57.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.422 ' N ' HD13 ' A' ' 41' ' ' LEU . . . -76.62 -35.5 40.76 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.441 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -76.65 -47.22 22.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.348 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.2 p -53.9 -31.17 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.139 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 10.4 mmt -75.23 -39.98 59.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 -74.76 -25.77 59.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.81 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.652 ' C ' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -53.96 -55.6 25.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.853 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.652 HD13 ' C ' ' A' ' 47' ' ' MET . 0.2 OUTLIER -113.8 16.61 18.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 53.42 41.46 63.34 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.455 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -57.67 -179.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.896 0.379 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -51.55 161.02 0.89 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.57 0.7 . . . . 0.0 110.926 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 150.87 68.32 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.661 2.24 . . . . 0.0 112.371 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.5 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.95 -58.78 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.565 0.698 . . . . 0.0 111.203 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 53' ' ' THR . 53.2 Cg_endo -69.85 -16.09 37.04 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.732 2.288 . . . . 0.0 112.283 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -61.46 -30.92 70.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.938 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -78.88 -30.07 44.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.461 HD13 ' O ' ' A' ' 37' ' ' SER . 96.7 mt -52.31 -34.68 48.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -60.03 -32.79 71.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.51 -27.41 58.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.682 ' O ' HG13 ' A' ' 64' ' ' VAL . 2.4 ttm -74.79 -47.88 28.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.528 HD13 ' HB3' ' A' ' 37' ' ' SER . 36.4 pt -58.54 -23.34 22.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.142 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -52.1 -30.98 28.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -146.91 78.82 1.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.682 HG13 ' O ' ' A' ' 60' ' ' MET . 7.0 m -130.83 -39.68 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.76 104.14 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -88.9 -30.26 19.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -73.91 -10.71 59.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.79 60.21 3.75 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.475 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 89.6 p -118.69 -36.34 3.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 110.882 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.14 -20.75 44.09 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.48 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.8 t -131.54 150.78 52.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.831 0.348 . . . . 0.0 111.146 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.471 HG12 ' HA ' ' A' ' 35' ' ' SER . 6.4 p -85.04 124.01 39.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.062 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.03 179.61 7.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -59.3 -70.35 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -57.41 -27.15 62.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -72.34 -30.69 64.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -64.65 -31.36 72.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.544 HD12 ' CZ ' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -77.49 -26.45 51.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 66.9 t -76.23 -24.93 16.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 36.6 mmm -52.9 -29.42 28.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.816 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.21 -68.23 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 8.5 p -63.85 -30.74 50.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.091 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.01 -48.06 70.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.5 m -86.09 -74.4 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 52.21 29.9 7.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -179.01 174.2 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -150.56 118.88 6.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -167.35 117.67 0.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.43 -34.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 63.15 166.11 0.12 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -157.89 -96.33 0.12 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.445 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -76.58 -175.41 3.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.78 0.324 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.63 95.96 5.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.815 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -76.9 -22.49 53.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -51.93 -30.05 22.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -52.27 -33.45 41.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.572 HD12 ' HD1' ' A' ' 153' ' ' FTR . 3.9 mm? -72.83 -33.48 66.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.0 p -61.93 -44.9 95.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -60.42 -51.68 68.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.6 mp -59.31 -37.95 79.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -60.93 -56.51 20.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.7 ptt180 -70.62 -16.49 62.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.26 -36.66 24.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.814 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -87.03 -16.65 35.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -77.45 59.64 1.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.94 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.96 -11.17 60.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -74.32 -7.67 53.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 50.45 30.75 4.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 45.7 p-10 -115.0 -14.77 11.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 102.81 -20.81 42.57 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.437 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -109.01 173.77 6.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.851 0.358 . . . . 0.0 110.934 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.509 HG21 HD21 ' A' ' 117' ' ' LEU . 10.7 mm -101.65 138.32 26.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.65 153.95 23.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.834 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.7 mt -47.55 -45.62 27.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -51.01 -49.84 59.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -62.83 -25.12 68.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.825 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.509 HD21 HG21 ' A' ' 112' ' ' ILE . 48.5 mt -80.91 -50.65 9.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.76 -46.08 76.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 50.2 mt -51.28 -30.29 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.079 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 16.3 ttp -62.17 -58.93 5.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.597 HD13 ' HB2' ' A' ' 126' ' ' GLU . 2.4 pp -72.77 -22.16 60.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -61.43 -25.59 67.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -51.82 -31.37 27.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.556 HG23 ' H ' ' A' ' 126' ' ' GLU . 2.0 t -119.55 -29.84 4.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 106.28 -15.82 42.48 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.519 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.597 ' HB2' HD13 ' A' ' 121' ' ' LEU . 2.6 tt0 50.97 -169.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.937 0.398 . . . . 0.0 110.878 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 10.9 t -123.78 28.2 6.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.18 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.655 HD12 ' HB3' ' A' ' 132' ' ' ASP . 40.9 pt -130.59 177.77 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 9.3 p -93.68 177.8 5.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.193 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -74.72 -29.39 61.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -59.98 -20.33 57.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.655 ' HB3' HD12 ' A' ' 128' ' ' ILE . 20.0 t0 -78.76 -40.36 33.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.825 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -54.14 -27.38 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -63.43 -26.6 68.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.96 -29.58 55.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.934 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.503 HD23 ' CE1' ' A' ' 156' ' ' PHE . 0.2 OUTLIER -51.28 -59.17 4.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.975 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -51.72 -49.45 62.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -62.76 -23.45 67.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.53 -58.24 4.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -73.85 -34.59 55.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.526 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -71.39 94.9 1.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.917 0.389 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.89 -20.39 14.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -69.14 -11.53 60.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 64.31 25.64 13.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 10.7 p30 -105.61 10.83 32.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 55.18 30.25 54.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.423 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -154.12 131.81 11.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.771 0.32 . . . . 0.0 110.845 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.438 HG23 ' HB2' ' A' ' 152' ' ' GLU . 83.3 mt -103.09 100.12 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -95.88 -160.64 0.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.15 62.27 0.9 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -165.86 -41.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.83 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.438 ' HB2' HG23 ' A' ' 148' ' ' ILE . 16.2 mp0 -81.43 -29.98 33.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 153' ' ' FTR . . . . . 0.572 ' HD1' HD12 ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 10.9 mt -71.79 -49.12 41.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.61 -9.99 59.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.503 ' CE1' HD23 ' A' ' 136' ' ' LEU . 0.1 OUTLIER -42.32 -65.56 0.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 4.0 ptp -124.13 49.05 1.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.51 115.92 17.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 86.76 20.71 53.16 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.469 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 24.2 t -107.69 147.65 12.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.83 0.348 . . . . 0.0 111.112 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 ttm . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.742 0.306 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -114.81 54.18 0.79 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -75.51 -18.75 59.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.43 ' H ' HD13 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -93.75 -13.89 8.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -108.17 -28.37 9.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -77.19 -34.34 56.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.03 -33.57 74.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.11 -57.51 3.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.0 p -59.89 -26.64 36.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.078 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -52.45 -37.09 56.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -75.14 -29.27 60.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.64 150.98 42.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.535 HG23 ' HG2' ' A' ' 16' ' ' GLN . 9.4 t -85.43 137.97 32.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.078 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -71.89 -24.29 61.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -55.01 -50.92 67.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.535 ' HG2' HG23 ' A' ' 13' ' ' THR . 18.6 pt20 -75.55 -32.02 60.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -58.04 -43.03 86.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.84 -22.73 39.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.72 -52.3 57.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.508 ' C ' ' CD1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -92.6 19.52 7.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.67 -2.8 44.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.924 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -116.49 -32.29 5.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.48 -28.62 52.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -51.75 -35.24 42.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.05 -42.84 99.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.663 ' O ' HD22 ' A' ' 29' ' ' LEU . 78.1 mt -70.2 -21.34 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.6 -44.58 67.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.793 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.554 ' HB ' ' HB ' ' A' ' 36' ' ' ILE . 2.1 t -91.54 15.67 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.663 HD22 ' O ' ' A' ' 26' ' ' ILE . 1.4 pt? -53.07 -32.08 45.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.623 ' H ' HD23 ' A' ' 29' ' ' LEU . . . -143.16 36.13 1.61 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.445 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.447 ' HB2' HG13 ' A' ' 28' ' ' VAL . . . -60.11 -168.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.747 0.308 . . . . 0.0 111.088 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -52.48 -46.81 66.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.841 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.39 -19.41 12.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 56.88 33.09 62.97 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.827 ' HB3' HG12 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -51.14 -25.62 5.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 110.877 -179.722 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.554 ' HB ' ' HB ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -58.82 167.56 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.65 ' HB3' HG21 ' A' ' 61' ' ' ILE . 8.2 p -46.08 159.83 0.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.6 m -88.7 -26.25 21.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.457 ' CD ' HD22 ' A' ' 57' ' ' LEU . 3.8 mptt -50.61 101.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.03 -25.27 17.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.41 -22.89 34.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.947 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.24 -24.48 68.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.441 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.467 ' HB2' HG23 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -56.15 -50.95 69.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.808 0.337 . . . . 0.0 110.912 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.408 HG22 ' HG ' ' A' ' 48' ' ' LEU . 10.5 p -72.57 -29.98 32.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.7 mmt -55.63 -48.85 74.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.894 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.21 -46.47 28.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.31 -24.79 57.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.408 ' HG ' HG22 ' A' ' 44' ' ' VAL . 15.8 mt -83.68 -19.11 35.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.78 44.64 47.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.507 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -106.45 179.03 4.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.816 0.341 . . . . 0.0 110.908 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -56.16 160.59 4.63 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.636 0.731 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 164.7 33.56 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.824 2.349 . . . . 0.0 112.304 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.515 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.0 OUTLIER 178.86 -58.88 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.564 0.697 . . . . 0.0 111.114 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 53' ' ' THR . 53.2 Cg_endo -69.84 -10.17 27.85 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.694 2.263 . . . . 0.0 112.318 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -55.59 -32.75 63.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -65.19 -30.45 71.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.457 HD22 ' CD ' ' A' ' 39' ' ' LYS . 8.9 mt -57.71 -27.06 62.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.69 -27.88 63.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.949 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -75.13 -44.45 46.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 30.5 mtt -61.78 -41.76 98.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.701 ' O ' HG22 ' A' ' 64' ' ' VAL . 42.4 pt -76.44 -23.13 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -79.72 -7.62 58.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -114.51 32.57 5.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.701 HG22 ' O ' ' A' ' 61' ' ' ILE . 14.1 m -119.2 -29.53 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.087 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.514 ' HB2' HG22 ' A' ' 71' ' ' THR . 13.4 t0 -102.06 78.33 1.77 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -62.43 -17.24 58.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -103.53 -4.83 23.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 50.94 42.36 47.04 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.511 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -149.53 -42.04 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.934 0.397 . . . . 0.0 110.873 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -46.06 -49.13 14.2 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.464 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.514 HG22 ' HB2' ' A' ' 65' ' ' ASP . 6.9 t -111.67 176.01 5.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.745 0.307 . . . . 0.0 111.174 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.827 HG12 ' HB3' ' A' ' 35' ' ' SER . 3.1 p -101.18 102.37 13.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -97.8 -179.08 4.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -56.47 -33.69 66.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.811 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.463 ' O ' HG23 ' A' ' 79' ' ' VAL . 0.5 OUTLIER -74.25 -53.79 9.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -60.98 -29.97 69.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -73.7 -54.21 8.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.87 -48.09 78.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.687 ' O ' HG22 ' A' ' 82' ' ' VAL . 70.4 t -59.12 -24.72 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 6.5 mmt -84.22 -7.45 59.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.81 -8.33 54.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.687 HG22 ' O ' ' A' ' 79' ' ' VAL . 10.6 m -83.79 -30.19 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.3 -33.63 69.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.31 -175.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.75 39.38 0.48 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.48 68.09 4.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -52.18 165.62 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.19 -169.87 3.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 30.6 t -164.11 164.26 22.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.24 164.64 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -141.74 27.42 2.34 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.493 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -95.96 129.77 43.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.785 0.326 . . . . 0.0 110.943 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -119.13 95.76 4.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -75.58 -23.04 56.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -53.95 -27.57 31.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.84 -33.26 35.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.7 mt -52.01 -30.12 23.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 p -67.29 -36.72 82.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.77 -55.85 11.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.941 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -58.66 -33.01 69.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -51.89 -57.35 9.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -75.89 -35.71 59.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -47.9 69.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -72.28 -11.67 60.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -76.98 60.9 1.88 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.751 ' HE3' HD13 ' A' ' 119' ' ' ILE . 44.2 mttm -54.53 -44.72 73.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -76.86 -8.83 58.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 45.62 60.18 3.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.076 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -114.99 3.33 14.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 95.78 -32.95 5.86 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.511 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -108.94 176.24 5.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.841 0.353 . . . . 0.0 110.97 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.597 ' HB ' HD12 ' A' ' 148' ' ' ILE . 11.6 mm -112.24 130.34 66.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.099 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.58 147.01 33.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.96 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.737 HD12 ' N ' ' A' ' 115' ' ' ASP . 1.5 pp -49.75 -26.2 3.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.737 ' N ' HD12 ' A' ' 114' ' ' LEU . 0.6 OUTLIER -58.29 -42.11 85.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.826 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.831 ' HA ' HD12 ' A' ' 119' ' ' ILE . 2.7 mt-10 -82.57 -26.39 32.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.646 HD12 ' HA ' ' A' ' 114' ' ' LEU . 31.6 mt -72.34 -49.16 36.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -56.12 -38.69 71.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.831 HD12 ' HA ' ' A' ' 116' ' ' GLU . 58.2 mt -51.78 -29.83 11.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.28 -59.73 2.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.2 pp -59.42 -23.9 63.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -78.17 -16.35 57.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.73 -15.85 61.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.054 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.7 t -110.02 -40.94 4.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.076 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 57.28 33.99 66.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.09 -75.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.921 0.391 . . . . 0.0 110.864 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.7 t 178.33 82.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.149 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.1 pp -131.4 167.75 25.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 16.5 p -106.78 160.17 15.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -38.26 78.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -61.94 -18.86 61.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -70.31 -39.75 74.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.428 HD12 ' HB2' ' A' ' 114' ' ' LEU . 0.4 OUTLIER -55.84 -27.85 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -25.62 67.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.19 -29.3 54.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.569 HD22 ' HB3' ' A' ' 117' ' ' LEU . 1.5 mt -55.76 -59.22 5.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.933 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 2.7 tpt -71.43 -50.14 34.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 25.6 tptt -51.0 -63.11 1.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -67.36 -24.04 65.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.912 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -51.5 -53.92 26.55 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.519 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -54.7 168.77 0.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.887 0.375 . . . . 0.0 110.827 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -157.65 -39.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -64.77 -78.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 176.52 -32.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.28 -30.92 12.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 91.56 17.38 49.45 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.578 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -134.88 154.95 51.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.797 0.332 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.597 HD12 ' HB ' ' A' ' 112' ' ' ILE . 2.0 mt -85.66 100.5 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -101.34 -166.28 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.778 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -75.75 61.5 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -175.36 -36.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -76.32 -38.6 55.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' FTR . . . . . 0.538 ' F ' HG21 ' A' ' 112' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 2.0 mt -76.09 -51.91 11.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.998 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -70.05 -10.76 59.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.496 ' CE2' HD13 ' A' ' 148' ' ' ILE . 0.1 OUTLIER -43.72 -65.73 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 4.2 ptp -122.84 55.85 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.797 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -15.03 61.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -80.89 -68.18 1.49 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.468 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 34.9 t -105.92 128.48 60.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 111.152 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 ttp . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.807 0.337 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -52.89 165.84 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.406 ' O ' ' CB ' ' A' ' 4' ' ' ILE . 0.1 OUTLIER -63.99 -57.08 10.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.708 HG22 ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER 78.02 -40.19 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.137 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.708 ' CD1' HG22 ' A' ' 4' ' ' ILE . 7.1 m-85 -69.6 -30.41 68.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.94 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -77.98 -24.32 48.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.824 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.29 -38.78 65.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.09 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.16 -52.61 22.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.065 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.6 p -54.4 -26.71 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.082 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.2 tt0 -66.16 -35.31 80.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -105.63 24.68 11.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.937 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.571 HD21 ' HD3' ' A' ' 17' ' ' LYS . 5.1 tp -122.0 116.05 23.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.4 HG23 ' H ' ' A' ' 16' ' ' GLN . 8.5 t -74.38 131.05 40.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.132 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -57.83 -23.72 54.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -54.96 -55.68 28.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.4 ' H ' HG23 ' A' ' 13' ' ' THR . 3.7 pt20 -74.84 -32.56 61.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.571 ' HD3' HD21 ' A' ' 12' ' ' LEU . 14.7 ttpt -53.38 -37.35 62.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -81.12 -22.82 38.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.927 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -52.99 52.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.503 ' C ' ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -90.88 17.9 7.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.96 -27.36 39.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.05 -27.33 68.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.45 -25.01 59.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -80.83 -40.82 24.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.76 -28.22 60.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.3 mt -69.27 -31.8 51.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.44 -28.32 46.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.571 ' HB ' ' HB3' ' A' ' 31' ' ' ALA . 20.7 m -111.99 25.69 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.5 tp -54.79 -29.32 54.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -96.34 -21.65 21.72 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.476 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.571 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . . . -78.99 125.77 29.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.746 0.308 . . . . 0.0 111.08 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -87.38 -31.1 20.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.04 -14.88 37.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.64 25.39 75.21 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.501 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.4 t -100.62 105.39 16.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.818 0.342 . . . . 0.0 110.866 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.645 ' O ' HG11 ' A' ' 72' ' ' VAL . 1.1 pt -130.88 107.17 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.218 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.58 120.08 6.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.1 t -53.53 -31.26 45.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -53.11 106.39 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -52.06 -30.56 26.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.4 mt -59.59 -49.15 78.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.962 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.28 -26.67 63.32 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.466 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -50.4 57.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.815 0.341 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.2 p -64.56 -30.09 49.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.165 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 8.6 mmt -60.21 -46.52 89.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -55.77 -42.52 75.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 9.2 mtt -57.32 -26.05 60.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.95 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 mt -95.8 28.29 3.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.71 19.56 63.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 59.02 96.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.814 0.34 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -103.36 160.62 25.58 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.662 0.744 . . . . 0.0 110.856 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 115.16 3.96 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.613 2.209 . . . . 0.0 112.448 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.517 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.91 -58.86 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.542 0.687 . . . . 0.0 111.171 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 53' ' ' THR . 53.4 Cg_endo -69.72 -16.82 37.92 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.742 2.295 . . . . 0.0 112.38 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -56.31 -31.33 63.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -76.42 -34.23 58.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 82.6 mt -56.01 -28.81 58.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.973 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -54.07 -35.01 61.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.94 -31.32 63.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 7.4 ttt -74.22 -48.27 29.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 36.8 pt -61.45 -25.83 37.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.75 -31.15 36.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -109.87 32.91 4.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 72.5 t -130.1 -40.17 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -54.73 114.34 1.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -66.93 -31.74 72.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -84.97 -10.73 56.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 56.52 57.56 18.81 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 98.2 p -110.04 -41.93 4.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.893 0.378 . . . . 0.0 110.841 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 102.85 -19.71 46.11 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.516 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.9 t -125.94 151.55 46.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.853 0.359 . . . . 0.0 111.097 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.645 HG11 ' O ' ' A' ' 36' ' ' ILE . 6.4 p -90.36 124.49 43.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.183 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -87.2 -176.96 5.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.798 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -74.9 -35.08 62.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.45 -27.23 63.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -62.85 -39.67 95.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -65.13 -43.32 92.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.786 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.98 -29.84 31.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.7 t -57.22 -23.31 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -31.59 30.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -61.08 -64.88 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.6 p -60.4 -30.51 46.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.6 mtt-85 -51.86 -48.07 64.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 69.4 -75.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.8 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 54.9 mtp 63.47 73.44 0.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -179.29 -34.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.54 -173.2 2.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -143.56 -68.13 0.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.2 163.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.95 -172.38 4.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -170.96 -167.42 31.27 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.7 pttp -118.91 40.46 3.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.761 0.315 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -120.15 -169.84 1.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -55.86 -25.6 43.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.827 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -52.49 -47.93 66.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -55.14 -33.78 63.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.413 HD22 HD23 ' A' ' 154' ' ' LEU . 0.2 OUTLIER -69.02 -27.68 65.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.58 -26.97 68.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -61.04 -64.16 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.494 HD12 ' HE2' ' A' ' 104' ' ' PHE . 4.3 mm? -56.41 -32.97 65.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.47 -55.7 28.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.805 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -25.76 66.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -26.71 56.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.494 ' HE2' HD12 ' A' ' 100' ' ' LEU . 8.5 m-85 -96.29 -24.95 15.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -75.62 69.04 2.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -77.47 -23.3 50.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -74.24 -7.99 54.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 49.05 32.4 3.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.03 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 18.0 p30 -108.87 -1.05 19.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 91.45 -19.58 46.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.534 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -108.61 170.87 7.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.943 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.506 HG21 HD21 ' A' ' 117' ' ' LEU . 14.3 mm -105.77 138.79 29.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.146 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -110.42 150.04 29.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.691 ' HA ' HD12 ' A' ' 117' ' ' LEU . 6.1 mt -49.94 -49.05 51.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.49 -30.06 18.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -81.02 -30.49 34.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.691 HD12 ' HA ' ' A' ' 114' ' ' LEU . 11.7 mt -75.99 -49.04 18.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.96 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.578 ' NZ ' HG21 ' A' ' 133' ' ' ILE . 0.2 OUTLIER -65.77 -28.32 68.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.812 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 1.5 mt -56.17 -31.94 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.073 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 13.7 tpt -69.93 -61.14 1.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.594 HD13 ' CG1' ' A' ' 128' ' ' ILE . 1.4 pp -60.14 -26.86 66.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.59 -26.19 66.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.99 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -138.33 85.84 2.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 3.9 t -159.64 -40.94 0.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 103.01 33.31 4.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -97.54 178.69 5.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 0.0 110.92 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.0 t -115.62 73.2 0.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.05 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.594 ' CG1' HD13 ' A' ' 121' ' ' LEU . 0.2 OUTLIER -131.13 167.12 26.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 179.818 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 18.5 p -100.92 160.74 14.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.102 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.546 ' O ' HG22 ' A' ' 133' ' ' ILE . 3.5 mt-10 -73.7 -29.51 62.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.953 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.16 -27.99 53.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.83 -34.46 54.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.619 HD11 ' HB2' ' A' ' 117' ' ' LEU . 11.1 tp -52.21 -29.55 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.44 -50.43 69.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -72.14 -29.44 64.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.462 ' C ' HD13 ' A' ' 136' ' ' LEU . 1.9 tm? -58.83 -59.08 6.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.482 ' SD ' HD11 ' A' ' 117' ' ' LEU . 15.4 tpt -50.84 -50.89 55.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp -64.09 -23.82 67.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.2 -6.61 50.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.87 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -108.77 -26.34 5.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.526 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -60.32 107.69 0.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.853 0.359 . . . . 0.0 110.809 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.31 -28.6 5.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 30.6 t30 -74.65 -7.18 52.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 64.84 42.65 4.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 28.1 p30 -117.49 -14.21 10.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 86.29 15.75 63.82 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.457 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -154.39 163.65 39.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.774 0.321 . . . . 0.0 110.897 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 23.7 mm -85.94 139.65 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -129.01 -175.04 3.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.8 61.23 1.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 179.99 -34.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.806 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -74.18 -41.72 61.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' FTR . . . . . 0.4 ' F ' ' CD2' ' A' ' 117' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.413 HD23 HD22 ' A' ' 97' ' ' LEU . 2.6 mt -75.85 -55.16 5.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.949 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -70.04 -10.26 58.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -42.62 -66.19 0.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 5.2 mtm -98.46 -43.75 6.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.816 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.95 129.51 1.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.932 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -156.88 -63.17 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.474 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 33.8 m -72.18 154.31 7.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.821 0.343 . . . . 0.0 111.117 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.961 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.707 0.289 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -113.11 161.18 17.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.479 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 0.8 OUTLIER -57.87 -56.81 17.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.479 ' CG1' ' O ' ' A' ' 3' ' ' ASP . 4.8 pt 46.42 26.62 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.166 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.43 ' CD1' HG13 ' A' ' 4' ' ' ILE . 19.4 m-30 -120.36 -23.37 6.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.89 -11.98 59.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.608 ' HB3' ' OD2' ' A' ' 88' ' ' ASP . . . -79.25 -46.91 16.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.052 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.728 ' HB2' HG11 ' A' ' 82' ' ' VAL . . . -52.23 -55.37 21.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.041 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.6 p -58.41 -29.08 37.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -69.49 -28.51 66.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -114.96 34.76 4.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.1 mt -76.77 113.76 14.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.479 HG23 ' H ' ' A' ' 16' ' ' GLN . 8.3 t -114.14 131.84 56.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.184 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -55.3 -26.62 41.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -54.87 -59.22 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.558 ' HG3' HD11 ' A' ' 78' ' ' LEU . 8.9 pt20 -75.69 -32.11 59.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.96 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.56 -22.39 55.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.419 ' HA ' ' HG2' ' A' ' 21' ' ' LYS . 9.0 t-20 -87.11 -24.34 24.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -87.61 -47.56 8.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.498 ' C ' ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -65.01 -11.38 38.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.828 -179.855 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.419 ' HG2' ' HA ' ' A' ' 18' ' ' ASN . 0.0 OUTLIER -88.37 -18.81 27.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.22 -33.02 14.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.109 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.75 -54.68 6.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.083 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -60.4 -36.15 77.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.422 ' HA ' HG22 ' A' ' 28' ' ' VAL . 10.5 t70 -56.25 -27.71 56.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.8 mt -82.86 -25.19 8.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.072 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.4 -26.1 23.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.49 HG12 HG21 ' A' ' 36' ' ' ILE . 18.1 m -95.11 25.48 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.12 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.6 tp -52.6 -43.67 65.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -85.18 -33.76 16.6 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.521 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.541 ' HB1' ' H ' ' A' ' 35' ' ' SER . . . -71.28 107.66 4.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.673 0.273 . . . . 0.0 111.075 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -64.18 -35.08 79.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -109.88 24.33 13.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 62.41 28.54 71.26 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.481 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.541 ' H ' ' HB1' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -64.38 92.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.834 0.349 . . . . 0.0 110.937 -179.732 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.49 HG21 HG12 ' A' ' 28' ' ' VAL . 9.8 tt -174.52 128.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.199 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.97 -74.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.8 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.2 t -89.87 -33.68 16.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -89.62 56.18 3.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.925 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.441 ' HG3' HD12 ' A' ' 41' ' ' LEU . 18.8 pt-20 -61.69 -35.29 77.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.441 HD12 ' HG3' ' A' ' 40' ' ' GLU . 5.6 mp -72.31 -40.88 67.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.66 -27.17 73.09 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.533 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.408 ' HG3' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -57.01 -31.22 64.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.844 0.354 . . . . 0.0 110.895 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.3 t -54.97 -31.72 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.8 mmt -75.53 -38.37 59.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.65 -42.97 71.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 23.6 mtt -60.15 -25.34 65.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.8 mt -95.77 29.37 2.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.39 19.16 64.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.34 105.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -112.72 160.61 30.0 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.659 0.742 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 113.6 3.42 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.686 2.257 . . . . 0.0 112.348 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.507 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.94 -58.85 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.577 0.703 . . . . 0.0 111.204 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 53' ' ' THR . 54.2 Cg_endo -69.74 -15.73 37.3 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.377 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -55.71 -30.97 62.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -71.95 -30.4 65.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 67.8 mt -71.03 -27.08 63.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -52.06 -32.1 33.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -72.74 -34.81 67.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.832 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.79 -50.52 23.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.85 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 26.7 pt -59.73 -25.56 32.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.38 -29.38 48.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -102.45 29.36 5.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.3 t -128.14 -41.67 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -68.43 95.01 0.59 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -57.58 -25.7 60.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -70.68 -10.72 60.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 54.19 28.52 42.42 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.429 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 96.3 p -100.2 -28.37 13.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.927 0.394 . . . . 0.0 110.913 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 69.14 19.32 73.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.7 t -153.87 149.28 27.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.848 0.356 . . . . 0.0 111.117 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.403 ' O ' HG13 ' A' ' 72' ' ' VAL . 6.3 p -102.63 122.29 54.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -85.69 -170.22 3.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -65.22 -74.05 0.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -54.51 -27.02 35.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.414 ' HA ' HG23 ' A' ' 79' ' ' VAL . 5.0 mt-10 -55.63 -30.3 60.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -56.54 -33.49 66.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.558 HD11 ' HG3' ' A' ' 16' ' ' GLN . 0.3 OUTLIER -72.41 -24.8 61.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.909 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.414 HG23 ' HA ' ' A' ' 76' ' ' GLU . 51.9 t -60.25 -19.78 18.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 29.2 mmt -84.09 -7.85 59.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.7 mtp -93.36 -40.08 10.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.728 HG11 ' HB2' ' A' ' 8' ' ' ALA . 13.5 m -61.12 -30.51 47.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.18 -33.54 70.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.82 -24.32 61.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.887 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.405 ' O ' ' C ' ' A' ' 86' ' ' LYS . 20.1 mtt -101.25 7.34 43.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 85' ' ' MET . 17.6 pttm 37.66 43.8 0.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -136.42 97.82 3.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.822 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.608 ' OD2' ' HB3' ' A' ' 7' ' ' ALA . 5.9 m-20 -155.72 -176.02 5.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.557 ' H ' ' HB2' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -114.66 -170.05 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.739 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.95 173.88 11.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 136.93 -159.87 24.73 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.523 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.45 153.07 30.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.28 95.66 5.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -76.85 -23.16 52.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.927 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.97 -26.55 37.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.32 -33.35 42.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.413 HD13 ' HB3' ' A' ' 154' ' ' LEU . 0.6 OUTLIER -54.84 -26.71 36.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 38.9 p -68.01 -28.14 67.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -66.82 -61.1 2.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.2 mp -56.41 -34.34 66.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.68 -55.93 21.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -16.72 64.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -86.07 -25.73 25.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -96.4 -34.88 11.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -77.46 60.07 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -73.07 -13.09 61.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -74.07 -7.76 53.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 50.27 31.39 5.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.115 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.2 p-10 -108.48 -3.87 17.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.43 -25.14 22.2 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.538 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -108.75 170.51 7.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.929 0.395 . . . . 0.0 110.924 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.492 HG21 HD21 ' A' ' 117' ' ' LEU . 22.5 mm -100.35 139.88 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.171 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.41 149.45 29.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.664 ' HA ' HD12 ' A' ' 117' ' ' LEU . 4.6 mt -49.24 -44.71 43.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.13 -35.09 33.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.786 ' HA ' HD12 ' A' ' 119' ' ' ILE . 6.1 mt-10 -81.19 -25.43 36.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.664 HD12 ' HA ' ' A' ' 114' ' ' LEU . 23.8 mt -77.92 -49.54 13.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.741 ' HA ' HD23 ' A' ' 121' ' ' LEU . 0.2 OUTLIER -62.73 -28.48 69.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 179.772 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.786 HD12 ' HA ' ' A' ' 116' ' ' GLU . 7.7 mt -52.76 -37.01 24.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.547 ' O ' HG23 ' A' ' 124' ' ' THR . 0.3 OUTLIER -69.52 -29.26 66.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.825 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.741 HD23 ' HA ' ' A' ' 118' ' ' LYS . 0.3 OUTLIER -84.4 -25.18 29.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -82.3 -22.62 35.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -95.27 26.73 3.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 120' ' ' MET . 57.6 p -125.62 -45.59 1.77 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 100.37 17.18 25.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.453 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.58 -176.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.921 0.391 . . . . 0.0 110.895 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.6 p -131.22 70.75 1.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.085 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.448 HD11 HD13 ' A' ' 121' ' ' LEU . 0.2 OUTLIER -130.65 174.93 12.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.885 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.5 p -99.26 162.64 12.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -74.38 -29.34 61.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.24 -27.03 43.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -71.3 -41.89 69.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.846 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.6 -27.86 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -62.41 -33.28 74.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -72.33 -30.06 64.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.79 -58.81 5.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -54.05 -37.17 63.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -71.47 -25.34 62.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -77.66 -58.13 3.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -58.6 -30.88 66.09 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -51.5 109.87 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.919 0.39 . . . . 0.0 110.828 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -117.66 -27.97 6.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -79.25 -2.61 41.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 67.1 t30 63.49 26.08 14.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -101.35 -20.13 15.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.821 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 90.13 21.28 39.22 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -153.98 160.4 42.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.761 0.315 . . . . 0.0 110.893 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 22.5 mm -85.91 139.44 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.181 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -131.1 -173.98 3.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.37 60.42 1.55 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.964 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 179.13 -33.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.82 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -72.91 -43.83 61.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' FTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.413 ' HB3' HD13 ' A' ' 97' ' ' LEU . 1.6 mt -75.51 -55.98 5.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -70.41 -9.69 57.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -42.16 -66.12 0.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 14.5 mmt -59.79 -39.48 85.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -53.58 -75.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.935 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 52.09 72.59 0.49 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.444 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 21.5 t -78.38 122.11 32.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.816 0.341 . . . . 0.0 111.161 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.777 0.322 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.87 -50.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.831 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -58.91 -29.03 66.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.513 HD12 ' CE1' ' A' ' 5' ' ' TYR . 1.0 OUTLIER -50.79 -35.35 13.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.513 ' CE1' HD12 ' A' ' 4' ' ' ILE . 22.3 m-85 -104.19 -40.26 6.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -61.49 -17.97 56.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.14 -51.42 25.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.138 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.32 -26.46 40.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 91.1 t -52.1 -40.64 30.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -63.6 -30.27 71.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -111.05 29.48 7.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.954 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 mt -56.5 128.72 37.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.1 p -118.06 131.5 56.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.151 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -68.54 -25.54 64.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.71 -26.98 47.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -59.92 -32.29 70.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -57.72 -33.81 68.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -81.33 -22.9 38.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -52.92 51.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.492 ' C ' ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -90.66 17.73 7.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.97 -25.9 40.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.23 -30.72 10.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.089 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.44 -27.33 58.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.079 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.673 ' O ' HG22 ' A' ' 28' ' ' VAL . 49.7 t80 -75.97 -31.31 58.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.818 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -72.1 -30.13 64.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.836 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.4 mt -81.74 -38.88 16.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -30.71 71.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.673 HG22 ' O ' ' A' ' 24' ' ' PHE . 21.9 m -106.67 26.26 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.3 tt -54.22 -34.7 61.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -94.97 -33.26 6.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.505 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.17 111.59 17.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.756 0.312 . . . . 0.0 111.075 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -79.34 -26.76 42.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.94 -14.82 59.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.827 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.93 28.06 55.19 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -98.86 118.87 36.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.839 0.352 . . . . 0.0 110.837 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.482 ' CG2' HG12 ' A' ' 28' ' ' VAL . 1.3 pt -152.26 98.57 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.105 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.0 p -179.32 -60.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.806 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 44.6 p -54.32 -41.59 69.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.163 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.01 37.57 1.94 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -68.55 -40.57 80.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.5 mt -71.97 -45.63 60.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.14 -25.22 75.91 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.494 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -33.66 66.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.9 t -56.81 -38.45 58.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.123 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.7 mmt -68.52 -28.87 67.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.9 ttm-85 -66.8 -27.08 67.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 5.4 mtt -69.19 -24.65 64.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 75.7 mt -95.41 26.6 3.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.3 17.99 59.78 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.501 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.25 101.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.755 0.312 . . . . 0.0 110.932 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -116.0 160.56 34.9 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.541 0.686 . . . . 0.0 110.998 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 114.87 3.84 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.659 2.24 . . . . 0.0 112.386 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.516 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.93 -58.86 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.559 0.695 . . . . 0.0 111.181 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 53' ' ' THR . 54.5 Cg_endo -69.75 -10.32 28.27 Favored 'Trans proline' 0 N--CA 1.466 -0.135 0 C-N-CA 122.716 2.278 . . . . 0.0 112.403 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -55.64 -41.45 73.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.957 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -79.22 -32.55 43.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.1 mt -68.08 -27.15 66.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.13 -29.96 24.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -74.32 -35.8 63.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.98 -50.53 27.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.618 ' O ' HG12 ' A' ' 64' ' ' VAL . 29.5 pt -58.76 -25.0 27.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.089 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.98 -34.47 42.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.6 58.19 1.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.618 HG12 ' O ' ' A' ' 61' ' ' ILE . 10.9 p -117.07 -27.84 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.07 105.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -72.06 -35.45 69.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.9 p30 -77.62 -10.69 59.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.24 57.21 19.48 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.475 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 45.4 p -118.83 -36.56 3.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.91 0.386 . . . . 0.0 110.84 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 92.93 -20.11 47.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.461 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.2 t -143.2 165.97 25.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.87 0.367 . . . . 0.0 111.168 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.479 HG11 HG13 ' A' ' 36' ' ' ILE . 6.4 p -91.94 128.71 43.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.162 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -87.05 177.5 7.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -70.43 -40.87 73.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.648 ' O ' HG23 ' A' ' 79' ' ' VAL . 0.2 OUTLIER -72.66 -26.34 61.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -55.48 -52.87 62.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.39 -36.15 78.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 mp -58.6 -26.52 63.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 75' ' ' ASP . 91.3 t -62.51 -25.35 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -80.18 -26.11 39.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -25.88 60.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.899 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 79' ' ' VAL . 19.1 m -53.07 -28.97 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.153 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -70.66 -46.84 62.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.35 -30.74 52.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.28 91.75 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.25 59.58 1.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -125.36 171.17 10.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.985 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.91 -175.59 4.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.822 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 69.12 -76.07 0.06 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? 56.26 92.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.939 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 106.17 116.9 4.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.609 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -167.46 29.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.78 0.324 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.05 -170.21 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -66.41 -27.81 68.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.51 -26.2 53.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -52.81 -33.65 50.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -52.53 -32.32 40.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.6 p -59.54 -47.52 85.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.839 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -69.32 -41.25 76.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.511 HD12 ' HE2' ' A' ' 104' ' ' PHE . 3.3 mm? -56.48 -37.99 71.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -51.99 -56.59 13.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.67 -24.77 61.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.12 -25.5 62.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.839 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.511 ' HE2' HD12 ' A' ' 100' ' ' LEU . 6.0 m-85 -96.53 -22.87 16.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -77.03 60.49 1.84 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 45.1 mttm -66.41 -22.48 66.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.844 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -78.08 -9.08 58.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 46.53 34.39 2.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.082 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -104.43 4.67 33.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.99 -29.61 7.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.476 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -108.53 174.89 5.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.879 0.371 . . . . 0.0 110.938 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.632 HG21 ' F ' ' A' ' 153' ' ' FTR . 23.7 mm -101.28 139.63 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.145 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.35 157.94 16.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.8 mt -59.22 -55.57 33.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -56.86 -21.67 31.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -81.62 -54.06 5.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.55 HD12 ' N ' ' A' ' 118' ' ' LYS . 1.6 pp -69.61 -49.53 53.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.55 ' N ' HD12 ' A' ' 117' ' ' LEU . 8.4 ptpt -60.91 -26.67 67.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.936 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -50.48 -29.79 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.1 ttt -70.23 -39.2 75.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.682 HD13 ' CG1' ' A' ' 128' ' ' ILE . 0.5 OUTLIER -76.24 -23.21 54.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.958 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.0 -14.5 63.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -89.03 -12.64 40.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.5 t -112.3 -43.35 3.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 57.38 34.84 69.2 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.471 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.36 -76.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.915 0.388 . . . . 0.0 110.882 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -166.8 27.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.682 ' CG1' HD13 ' A' ' 121' ' ' LEU . 17.3 pt -120.06 148.24 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 32.5 p -105.35 175.89 5.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -74.85 -38.87 61.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.83 -35.91 46.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.2 -47.56 15.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.537 HD12 ' CD1' ' A' ' 117' ' ' LEU . 0.4 OUTLIER -52.93 -27.3 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.172 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -56.67 -52.41 65.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.07 -29.88 68.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.03 -27.56 61.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 2.0 ttm -51.47 -46.04 62.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.53 -25.59 64.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -85.29 -0.58 55.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.746 ' O ' HG23 ' A' ' 148' ' ' ILE . . . -131.1 -1.92 4.78 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.528 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 35.7 p-10 -100.38 -161.86 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.382 . . . . 0.0 110.844 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -76.21 8.55 3.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.825 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.5 m120 63.8 14.41 8.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -178.94 26.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -142.64 -4.27 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 50.2 27.94 12.18 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 7.4 mtt85 -138.8 134.02 32.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.35 . . . . 0.0 110.879 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.746 HG23 ' O ' ' A' ' 140' ' ' GLY . 3.2 mt -92.42 98.52 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.91 178.96 7.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -76.92 62.68 2.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' ASP . . . . . 0.47 ' O ' HD12 ' A' ' 154' ' ' LEU . 8.1 t70 -171.1 -37.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.921 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -82.02 -35.03 29.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' FTR . . . . . 0.632 ' F ' HG21 ' A' ' 112' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.47 HD12 ' O ' ' A' ' 151' ' ' ASP . 1.2 mt -73.23 -37.94 66.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.91 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -85.2 -8.01 58.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -40.25 -65.72 0.38 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.532 ' O ' HG13 ' A' ' 160' ' ' VAL . 0.0 OUTLIER -72.47 -33.85 67.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.935 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -76.3 77.1 3.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 129.52 36.16 0.42 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.522 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 157' ' ' MET . 20.3 m -67.59 162.85 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.78 0.324 . . . . 0.0 111.139 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.9 mtp . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.875 0.369 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -172.8 -170.98 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.678 ' C ' HD13 ' A' ' 4' ' ' ILE . 5.6 m-20 -81.24 -57.01 3.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.813 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.678 HD13 ' C ' ' A' ' 3' ' ' ASP . 0.2 OUTLIER 39.95 30.79 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.17 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.693 ' O ' HG23 ' A' ' 9' ' ' VAL . 20.0 m-85 -127.39 -69.53 0.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.46 -15.15 59.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.02 -33.0 22.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.076 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.1 -35.51 49.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 5' ' ' TYR . 99.3 t -62.22 -26.13 39.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.175 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -51.15 -47.8 62.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.1 -21.31 60.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.457 HD12 HE22 ' A' ' 16' ' ' GLN . 3.8 mm? -78.02 178.01 7.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.0 t -120.47 131.21 54.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -59.14 -26.83 65.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -56.44 -27.28 56.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.457 HE22 HD12 ' A' ' 12' ' ' LEU . 9.0 pt20 -56.81 -32.44 65.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.8 ttpp -58.19 -39.76 79.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.21 -22.82 38.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -64.96 -53.07 52.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.695 ' CZ ' HD13 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -90.74 17.69 7.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.84 -26.83 40.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.71 -29.73 10.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.135 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.96 -25.19 52.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -65.25 -43.52 91.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -28.42 67.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.5 mt -82.68 -35.28 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -58.37 8.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.661 HG12 HG21 ' A' ' 36' ' ' ILE . 19.2 m -97.13 26.45 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 30.2 tp -51.94 -30.07 23.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -102.66 -32.62 4.73 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.496 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.636 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . . . -57.1 123.99 17.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 0.0 111.05 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -93.01 -27.62 16.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.74 -14.89 59.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.814 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 60.91 27.32 66.73 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.455 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.6 t -111.2 112.93 25.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.864 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.661 HG21 HG12 ' A' ' 28' ' ' VAL . 5.0 pt -150.74 150.32 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.1 m -153.87 24.28 0.5 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.42 HG22 ' HA3' ' A' ' 42' ' ' GLY . 0.6 OUTLIER -55.31 -51.25 67.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.097 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.8 mttm 59.3 -116.99 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.572 ' O ' HG22 ' A' ' 44' ' ' VAL . 1.8 tt0 -95.92 -64.29 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 mp -52.34 -27.05 13.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.42 ' HA3' HG22 ' A' ' 38' ' ' THR . . . -81.65 -49.81 5.26 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.457 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -32.13 73.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.87 0.367 . . . . 0.0 110.951 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.572 HG22 ' O ' ' A' ' 40' ' ' GLU . 23.4 m -75.37 -39.92 42.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.424 ' N ' HG23 ' A' ' 44' ' ' VAL . 7.7 ptt? -76.98 -31.38 56.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -76.07 -34.92 59.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.815 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 20.0 mtt -84.24 -55.58 4.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.9 mt -68.99 -19.4 64.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 53.56 30.99 43.63 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.48 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -52.14 170.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.785 0.326 . . . . 0.0 110.918 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -51.85 160.9 1.01 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.668 0.747 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 130.44 19.31 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.711 2.274 . . . . 0.0 112.358 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.52 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.85 -58.93 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.511 0.672 . . . . 0.0 111.13 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 53' ' ' THR . 53.3 Cg_endo -69.78 -8.3 23.25 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.258 . . . . 0.0 112.31 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -55.52 -30.6 60.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -53.33 -29.9 36.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 61' ' ' ILE . 14.3 mt -52.04 -29.92 23.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -62.07 -37.77 86.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -75.53 -28.55 59.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.6 -46.14 23.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.567 HG23 ' O ' ' A' ' 57' ' ' LEU . 47.8 pt -58.66 -24.29 25.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.065 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -53.22 -28.63 27.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.906 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -114.93 71.97 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 61' ' ' ILE . 23.9 m -124.0 -37.59 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.108 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -53.1 102.9 0.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -73.63 -36.06 65.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.0 p-10 -80.8 -10.76 59.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.9 65.48 2.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.7 p -115.99 -36.19 4.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.935 0.398 . . . . 0.0 110.913 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.43 -24.65 30.95 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.533 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.9 t -121.14 165.61 15.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.773 0.321 . . . . 0.0 111.164 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.6 p -119.25 124.28 72.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.1 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.28 -175.99 4.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -61.56 -73.56 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.419 ' O ' HG23 ' A' ' 79' ' ' VAL . 0.2 OUTLIER -55.02 -28.83 55.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.6 -45.96 81.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.1 -51.56 69.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.695 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 2.3 mp -54.13 -38.4 65.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 75' ' ' ASP . 94.4 t -76.89 -22.9 14.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.88 -26.47 29.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -54.66 42.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 32.3 m -53.14 -32.52 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -71.11 -32.26 68.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 41.1 m -51.99 110.38 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -175.13 -35.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -146.88 179.69 7.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.931 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -94.93 123.48 38.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.18 -170.02 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.9 m 63.19 163.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.809 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -173.86 142.88 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -143.73 111.86 0.66 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.528 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.29 63.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.75 0.309 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.42 148.52 43.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -75.55 -20.69 58.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -54.82 -26.68 36.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.53 -33.87 47.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.434 HD13 HD22 ' A' ' 154' ' ' LEU . 0.5 OUTLIER -55.47 -26.23 41.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.977 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 57.1 p -61.79 -33.13 73.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -66.93 -63.09 1.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.3 mp -56.5 -30.96 63.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -51.93 -57.44 9.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -75.79 -31.35 59.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -30.54 22.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -96.27 -26.43 15.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -68.24 87.19 0.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.802 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.0 mttp -88.27 -24.49 23.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 39.3 m-20 -80.75 -7.92 59.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 49.35 32.41 4.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.074 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.3 p-10 -96.45 2.61 52.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.35 -28.25 10.23 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.505 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -108.89 175.95 5.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.936 0.398 . . . . 0.0 110.92 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 12.7 mm -108.5 139.34 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.173 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.85 136.16 42.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.93 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.774 HD12 ' N ' ' A' ' 115' ' ' ASP . 0.6 OUTLIER -56.17 -21.66 24.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.981 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.774 ' N ' HD12 ' A' ' 114' ' ' LEU . 74.6 m-20 -78.7 -23.68 45.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.925 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -85.24 -49.91 7.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.573 HD12 ' N ' ' A' ' 118' ' ' LYS . 2.2 pp -64.29 -43.13 95.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.573 ' N ' HD12 ' A' ' 117' ' ' LEU . 17.5 ptpt -54.74 -25.52 28.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 71.2 mt -50.6 -29.92 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -61.64 1.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.768 HD21 HG12 ' A' ' 133' ' ' ILE . 2.1 pp -65.0 -16.87 63.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -82.84 -20.96 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.945 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.47 -70.15 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.4 HG23 ' N ' ' A' ' 125' ' ' GLY . 3.5 t -51.24 -44.29 61.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.15 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.4 ' N ' HG23 ' A' ' 124' ' ' THR . . . 56.98 33.5 64.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.503 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.565 ' O ' HG23 ' A' ' 127' ' ' THR . 5.7 tt0 -51.45 -75.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.908 0.385 . . . . 0.0 110.87 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 126' ' ' GLU . 0.2 OUTLIER -168.99 77.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.207 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.55 159.73 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.099 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 70.2 p -106.6 160.25 15.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.148 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -75.04 -24.47 58.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -60.57 -25.85 66.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.807 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.17 -43.6 23.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.82 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.768 HG12 HD21 ' A' ' 121' ' ' LEU . 0.4 OUTLIER -54.92 -27.3 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.181 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -63.91 -27.65 69.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.95 -29.54 55.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.54 -59.14 4.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.8 ttm -60.97 -29.23 69.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -69.22 -45.45 69.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -71.1 -47.48 57.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -52.86 -41.06 58.11 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.556 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -70.32 92.81 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.359 . . . . 0.0 110.843 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -105.27 -18.93 13.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -80.12 -6.68 58.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 63.42 80.69 0.22 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -150.35 -40.78 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 116.28 10.09 11.06 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -154.03 164.82 37.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.737 0.304 . . . . 0.0 110.908 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.656 HG21 ' HE3' ' A' ' 153' ' ' FTR . 13.6 mm -86.32 100.76 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.064 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.47 -170.99 2.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -74.82 -27.02 60.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.29 -12.26 35.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.81 -47.36 15.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 153' ' ' FTR . . . . . 0.656 ' HE3' HG21 ' A' ' 148' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.434 HD22 HD13 ' A' ' 97' ' ' LEU . 5.4 mt -70.1 -58.46 3.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -68.62 -10.65 57.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.57 -64.68 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 8.6 mmt -76.08 60.42 1.43 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -137.32 33.67 2.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 52.84 32.63 41.32 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.536 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 22.7 t -66.17 137.58 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.735 0.302 . . . . 0.0 111.199 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.958 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.815 0.34 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.18 -34.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -79.32 -24.59 42.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.541 ' N ' HD13 ' A' ' 4' ' ' ILE . 0.2 OUTLIER -49.71 -28.3 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.423 ' CD1' HG12 ' A' ' 4' ' ' ILE . 21.7 m-85 -109.2 -25.39 10.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -71.59 -26.68 62.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.63 -41.78 83.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.073 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.474 ' HB2' ' CG2' ' A' ' 82' ' ' VAL . . . -57.57 -43.34 84.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.2 t -53.57 -34.43 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -60.02 -42.31 94.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -104.64 24.37 11.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.605 HD21 ' HD2' ' A' ' 17' ' ' LYS . 5.3 tp -125.38 111.36 15.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.85 148.3 22.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -52.49 -34.33 48.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -60.22 -59.05 6.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -66.9 -31.5 72.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.943 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.605 ' HD2' HD21 ' A' ' 12' ' ' LEU . 9.6 ttpt -58.12 -22.0 48.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.409 ' HA ' ' HG2' ' A' ' 21' ' ' LYS . 3.5 t-20 -87.3 -24.31 24.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.76 -46.88 9.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.638 ' CE1' HD12 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -65.84 -10.78 41.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.682 ' HB2' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -88.44 -13.06 41.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.447 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -67.45 -46.97 71.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.04 -23.62 47.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -74.62 -30.78 61.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -76.62 -27.27 55.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.844 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.447 HG23 ' O ' ' A' ' 22' ' ' ALA . 0.1 OUTLIER -84.12 -28.07 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -41.5 75.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.496 ' HB ' ' HB3' ' A' ' 31' ' ' ALA . 22.8 m -95.37 26.5 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.104 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.9 tt -51.89 -30.33 23.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -90.96 -21.83 34.85 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.438 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.496 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . . . -91.06 124.22 35.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.742 0.306 . . . . 0.0 111.07 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -93.17 -25.65 17.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.09 -14.89 61.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.01 17.95 68.32 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.465 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.4 m -112.61 125.4 54.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.346 . . . . 0.0 110.857 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.434 HG21 HG12 ' A' ' 28' ' ' VAL . 1.3 pt -152.91 100.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.163 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 p -158.6 26.28 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.2 -37.11 24.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.179 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -173.33 64.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -88.57 -34.9 17.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.601 HD21 HG21 ' A' ' 61' ' ' ILE . 3.4 pp -69.97 -41.1 74.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.444 ' N ' HD12 ' A' ' 41' ' ' LEU . . . -76.1 -25.19 67.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.476 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.81 -25.65 56.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 41' ' ' LEU . 18.6 m -54.15 -30.52 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.12 -28.75 64.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -75.82 -34.24 60.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -26.7 38.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 75.9 mt -105.05 -19.09 13.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.66 46.67 13.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -97.32 -176.15 3.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.792 0.329 . . . . 0.0 110.927 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -72.6 160.6 82.41 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.649 0.738 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 153.69 68.67 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.692 2.261 . . . . 0.0 112.34 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.517 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.89 -58.89 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.584 0.707 . . . . 0.0 111.151 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 53' ' ' THR . 53.4 Cg_endo -69.77 -14.48 36.12 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.682 2.255 . . . . 0.0 112.338 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -55.72 -30.92 61.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -66.89 -30.26 70.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.432 HD13 ' CD1' ' A' ' 41' ' ' LEU . 9.8 mt -55.14 -27.09 42.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -51.98 -35.19 45.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -75.3 -31.23 60.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.0 -47.14 30.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.669 ' O ' HG12 ' A' ' 64' ' ' VAL . 47.0 pt -58.56 -25.31 27.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -52.02 -30.05 23.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -128.67 50.64 2.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.669 HG12 ' O ' ' A' ' 61' ' ' ILE . 11.1 p -112.07 -25.35 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.153 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.66 102.85 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -72.52 -32.69 66.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -74.67 -10.73 59.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 62.28 63.26 4.86 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 80.8 p -121.08 -34.18 3.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 110.841 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.25 -26.75 15.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.449 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.8 t -122.2 173.23 7.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.817 0.341 . . . . 0.0 111.14 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.1 t -113.38 119.17 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.13 -170.32 2.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.567 ' O ' HD23 ' A' ' 78' ' ' LEU . 9.9 m-85 -88.55 -28.07 20.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -66.67 -50.73 61.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.833 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -69.21 -30.23 68.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -73.47 -49.95 24.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.682 HD11 ' HB2' ' A' ' 21' ' ' LYS . 2.5 mm? -51.68 -43.28 62.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.652 ' O ' HG12 ' A' ' 82' ' ' VAL . 14.7 p -75.35 -24.78 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.3 mtp -68.24 -17.09 64.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.84 -34.71 41.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.652 HG12 ' O ' ' A' ' 79' ' ' VAL . 6.8 p -52.96 -32.25 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.104 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 62.2 mtp85 -53.85 -41.44 67.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.9 m -57.61 -67.9 0.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.46 -34.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.04 178.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -105.29 -174.7 2.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -107.63 130.63 54.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -162.88 -171.67 2.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -148.37 163.79 36.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 152.07 136.37 2.41 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.469 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -136.69 179.22 6.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.775 0.321 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 m -97.19 172.29 7.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -73.6 -28.05 61.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.49 -40.24 92.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -69.3 -34.08 74.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.402 ' HB3' HD22 ' A' ' 154' ' ' LEU . 5.5 mt -55.43 -30.78 61.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.43 -24.11 50.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -86.27 -47.89 9.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.632 HD12 ' HE2' ' A' ' 104' ' ' PHE . 4.4 mm? -62.2 -31.86 72.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -59.6 -56.52 20.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -75.53 -25.08 56.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 13.5 tpt -70.39 -44.86 67.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.632 ' HE2' HD12 ' A' ' 100' ' ' LEU . 8.6 m-85 -77.63 -11.72 59.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -76.58 62.86 1.99 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -67.13 -14.33 62.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -76.02 -8.57 57.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 48.86 31.95 3.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 53.8 p-10 -115.79 -13.08 11.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 105.28 -19.73 39.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.484 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -109.07 175.87 5.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.886 0.374 . . . . 0.0 110.888 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.414 HG21 ' F ' ' A' ' 153' ' ' FTR . 11.7 mm -102.82 137.67 30.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.159 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -110.63 158.86 18.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 14.1 mt -53.43 -50.65 64.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.729 ' O ' HD12 ' A' ' 119' ' ' ILE . 1.6 m-20 -53.47 -44.53 69.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.848 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -57.88 -54.89 41.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.576 ' CD1' HD11 ' A' ' 133' ' ' ILE . 2.9 pp -68.36 -24.65 64.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.609 ' HG3' HD12 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -58.17 -50.59 73.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.786 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.729 HD12 ' O ' ' A' ' 115' ' ' ASP . 2.4 mp -57.49 -35.52 50.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.4 tpt -62.66 -61.47 2.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 1.044 HD13 HD11 ' A' ' 128' ' ' ILE . 1.6 pp -66.87 -20.13 65.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -67.64 -25.03 65.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.22 -18.37 65.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.091 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -167.4 -65.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.179 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 89.8 -15.6 58.73 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.464 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 71.62 -70.5 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.947 0.403 . . . . 0.0 110.897 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -167.51 28.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 1.044 HD11 HD13 ' A' ' 121' ' ' LEU . 1.8 pt -93.3 167.88 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.66 177.31 4.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.159 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.488 ' O ' HG22 ' A' ' 133' ' ' ILE . 17.7 mt-10 -68.92 -49.0 61.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -68.88 -18.97 64.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.58 -29.27 69.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.609 HD12 ' HG3' ' A' ' 118' ' ' LYS . 3.5 tt -49.3 -32.35 5.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.093 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.41 -42.99 67.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -68.79 -30.06 68.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.15 -58.88 6.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 15.8 tpt -59.59 -54.19 49.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 15.5 mmtt -51.73 -43.41 62.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -71.89 -25.53 61.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.582 ' HA3' HD11 ' A' ' 148' ' ' ILE . . . -55.54 -50.69 59.15 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.465 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -81.58 130.6 35.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.852 0.358 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.02 -11.58 9.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -67.28 -77.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 175.38 -36.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.63 -35.01 40.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 104.52 -11.69 50.59 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.455 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -112.39 157.75 20.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.827 0.346 . . . . 0.0 110.827 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.582 HD11 ' HA3' ' A' ' 140' ' ' GLY . 22.4 mt -88.39 138.27 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -134.32 -162.7 1.28 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -75.25 60.57 1.1 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -175.99 -36.42 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 28.5 mp0 -81.27 -34.57 31.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' FTR . . . . . 0.436 ' HE3' HG21 ' A' ' 148' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.402 HD22 ' HB3' ' A' ' 97' ' ' LEU . 1.9 mt -75.89 -36.39 59.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.934 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -85.33 -8.33 58.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.851 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -41.14 -65.86 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 3.2 ptp -116.22 30.86 7.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.59 -167.12 2.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.943 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -147.0 20.72 1.59 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.502 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 39.0 t -97.87 145.42 9.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.8 0.333 . . . . 0.0 111.106 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.85 0.357 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.545 HG23 ' CD1' ' A' ' 5' ' ' TYR . 2.5 tp -164.54 -36.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.186 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.545 ' CD1' HG23 ' A' ' 4' ' ' ILE . 1.4 m-85 -98.3 -30.53 12.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.961 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.479 ' O ' HG12 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -70.64 -12.19 61.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -87.96 -46.26 9.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.564 ' HB2' ' CG2' ' A' ' 82' ' ' VAL . . . -64.76 -37.75 88.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.479 HG12 ' O ' ' A' ' 6' ' ' LYS . 8.2 p -51.52 -30.64 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -59.52 -40.12 86.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -107.68 10.77 28.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.595 HD21 ' OE1' ' A' ' 16' ' ' GLN . 8.2 tp -120.6 140.02 52.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.537 ' N ' HD12 ' A' ' 12' ' ' LEU . 9.9 t -92.64 130.8 38.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.152 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -67.45 -18.25 65.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.67 -26.21 31.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.595 ' OE1' HD21 ' A' ' 12' ' ' LEU . 4.6 pt20 -55.42 -31.02 61.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.41 -39.03 56.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -81.26 -22.99 38.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -65.26 -52.76 52.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.52 ' CZ ' HD13 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -89.93 16.77 7.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.91 -27.26 36.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.927 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.27 -58.53 5.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.07 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.08 -25.8 65.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.515 ' O ' HG22 ' A' ' 28' ' ' VAL . 28.2 t80 -75.27 -48.21 24.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.3 -30.37 69.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.5 mt -79.63 -25.18 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -85.02 -28.97 25.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.567 HG12 HG23 ' A' ' 36' ' ' ILE . 34.1 m -97.04 25.53 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.6 -37.98 63.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -98.99 -21.07 16.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.539 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.434 ' HB1' ' H ' ' A' ' 35' ' ' SER . . . -78.92 126.56 30.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.745 0.307 . . . . 0.0 111.118 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -88.5 -31.32 18.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -104.24 24.36 11.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.825 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 66.33 25.39 72.45 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.434 ' H ' ' HB1' ' A' ' 31' ' ' ALA . 92.4 p -80.9 108.51 14.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.83 0.348 . . . . 0.0 110.881 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.567 HG23 HG12 ' A' ' 28' ' ' VAL . 1.0 OUTLIER -147.5 -179.09 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.166 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.48 135.78 35.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.819 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.8 p -75.61 -27.1 58.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.129 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.87 103.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -92.5 -56.36 3.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.839 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.6 mt -71.29 -46.24 61.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.92 -25.91 39.33 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.5 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.78 -50.33 25.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.1 m -70.63 -26.68 28.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.13 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -45.33 39.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -74.07 -27.84 61.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 9.1 mtt -56.94 -27.92 61.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.2 mt -70.08 -18.95 63.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.969 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 79.4 46.81 7.81 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -94.49 -171.72 2.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.821 0.343 . . . . 0.0 110.899 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -53.0 160.49 1.5 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.609 0.719 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 142.33 47.47 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.723 2.282 . . . . 0.0 112.298 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.517 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.88 -58.9 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.563 0.697 . . . . 0.0 111.17 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 53' ' ' THR . 53.0 Cg_endo -69.79 -14.62 36.24 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.648 2.232 . . . . 0.0 112.316 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.75 -35.03 65.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.927 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -79.54 -30.38 41.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.4 mt -60.11 -26.98 66.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -72.31 -24.51 61.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -75.44 -50.03 17.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.423 ' HG3' HG23 ' A' ' 61' ' ' ILE . 19.8 ptp -58.59 -42.04 87.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.423 HG23 ' HG3' ' A' ' 60' ' ' MET . 22.1 pt -77.31 -23.61 14.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.137 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.53 -38.88 64.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -125.88 37.58 4.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.9 p -56.26 -25.51 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.14 103.3 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -86.71 -37.14 18.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -71.61 -10.66 60.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 64.81 61.66 5.67 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 p -105.6 -43.69 4.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.903 0.382 . . . . 0.0 110.801 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 130.47 -29.71 3.58 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.54 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.1 t -150.45 171.04 17.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.802 0.334 . . . . 0.0 111.163 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.0 t -112.6 124.87 69.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.066 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -81.75 155.87 25.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -55.66 -39.38 70.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -66.26 -42.75 88.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.944 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -55.23 -30.1 59.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -74.48 -43.51 55.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.52 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 1.0 OUTLIER -57.27 -52.09 66.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.536 HG12 ' HB3' ' A' ' 5' ' ' TYR . 12.6 m -59.26 -19.19 15.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.6 ttp -75.78 -11.05 59.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -78.59 -56.47 4.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.564 ' CG2' ' HB2' ' A' ' 8' ' ' ALA . 2.8 p . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.845 0.355 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 29.0 tp10 -78.19 -25.53 47.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -70.29 -33.5 71.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.7 mt -53.45 -38.99 64.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.17 -26.65 66.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.801 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -92.73 -49.84 5.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.843 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.0 mp -58.94 -37.01 75.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -51.93 -56.52 13.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.954 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.33 -25.45 57.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.4 tpt -64.22 -27.58 69.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -96.4 -21.44 17.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.841 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -77.29 59.87 1.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.946 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 32.6 mttp -67.6 -17.88 64.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -74.05 -7.78 53.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 49.7 31.36 4.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 41.4 p-10 -105.29 -14.87 15.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 106.14 -23.06 29.9 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -108.43 174.15 6.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.918 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.406 ' HB ' HG13 ' A' ' 148' ' ' ILE . 15.3 mm -106.75 140.37 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.089 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -108.77 163.15 13.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.9 mt -62.22 -55.53 27.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -58.16 -21.38 46.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -81.74 -53.84 5.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.851 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.525 HD21 ' HG3' ' A' ' 137' ' ' MET . 1.7 pp -68.32 -49.02 63.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.602 ' CB ' HG21 ' A' ' 133' ' ' ILE . 8.5 ptpt -61.97 -27.36 68.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -50.89 -30.23 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.209 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 5.6 ttp -60.39 -58.87 6.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.715 ' CD2' HD13 ' A' ' 133' ' ' ILE . 0.8 OUTLIER -58.37 -22.91 55.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -64.73 -25.85 68.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -116.68 75.06 0.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.8 t -176.04 -37.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.189 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 104.02 33.38 4.05 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.535 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.97 168.93 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.925 0.393 . . . . 0.0 110.882 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 11.3 t -117.2 39.48 3.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 30.7 pt -131.09 165.64 30.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.58 160.58 30.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.103 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.673 ' O ' HG22 ' A' ' 133' ' ' ILE . 6.5 mt-10 -74.69 -37.77 62.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -77.49 -23.58 50.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -56.51 -43.03 79.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.819 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.715 HD13 ' CD2' ' A' ' 121' ' ' LEU . 1.1 tp -52.72 -28.51 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -53.48 -31.1 44.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -75.25 -30.37 60.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.39 -53.8 42.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.525 ' HG3' HD21 ' A' ' 117' ' ' LEU . 1.4 tmt? -51.99 -37.73 54.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.35 -35.13 62.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.84 -23.65 39.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -52.07 -33.1 36.6 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.531 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -51.81 156.06 1.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.838 0.352 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -162.31 -39.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -86.52 6.84 28.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 63.64 87.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -160.46 -40.2 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 109.36 16.02 11.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.423 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -154.09 165.85 34.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.822 0.344 . . . . 0.0 110.837 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.406 HG13 ' HB ' ' A' ' 112' ' ' ILE . 24.3 mm -86.07 139.84 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.175 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -132.76 -171.76 2.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -77.35 59.96 1.93 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.56 -34.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.875 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.936 -179.941 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 2.3 mt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.807 0.337 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -68.59 -11.01 59.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -43.47 -64.53 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 8.5 mmt -75.59 60.36 1.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.936 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.736 0.303 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.42 ' H ' HD13 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -94.89 -22.03 5.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.094 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.722 ' O ' HG23 ' A' ' 9' ' ' VAL . 9.2 m-85 -100.26 -22.31 15.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.04 -36.6 55.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.87 -26.28 61.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.074 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.549 ' HB3' HG12 ' A' ' 82' ' ' VAL . . . -75.96 -44.26 40.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 5' ' ' TYR . 66.2 t -54.86 -26.47 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -51.68 -47.78 63.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.58 -21.47 60.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.597 HD12 HE22 ' A' ' 16' ' ' GLN . 4.0 mm? -76.02 177.85 6.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.1 p -117.92 131.25 56.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -65.27 -25.69 67.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -54.95 -27.67 45.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.597 HE22 HD12 ' A' ' 12' ' ' LEU . 6.1 pt20 -62.25 -32.15 72.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.86 -24.38 66.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.423 ' HA ' ' HG2' ' A' ' 21' ' ' LYS . 7.4 t-20 -87.36 -24.34 24.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -87.73 -47.25 8.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.487 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -65.28 -11.39 40.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.864 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.423 ' HG2' ' HA ' ' A' ' 18' ' ' ASN . 0.0 OUTLIER -88.19 3.33 49.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -113.26 -45.52 3.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.95 -29.85 55.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.041 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.735 ' O ' HG22 ' A' ' 28' ' ' VAL . 66.1 t80 -51.9 -31.74 29.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.74 -42.27 99.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 26.2 mt -83.29 -32.69 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.099 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -49.73 75.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.735 HG22 ' O ' ' A' ' 24' ' ' PHE . 13.5 m -95.36 26.3 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.413 HD23 ' O ' ' A' ' 29' ' ' LEU . 8.3 tt -52.08 -29.97 23.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.972 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -94.26 -19.46 33.0 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.512 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -102.81 115.81 31.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.764 0.316 . . . . 0.0 111.044 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -93.39 -25.37 17.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.24 -14.75 61.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.881 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.32 28.47 59.89 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.503 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.13 100.56 11.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.369 . . . . 0.0 110.858 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.635 HG21 HG12 ' A' ' 28' ' ' VAL . 13.2 tt -164.28 143.52 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.161 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.3 p -93.45 168.79 10.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 20.8 m -80.17 -27.08 39.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -51.76 103.2 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.592 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -92.69 -24.93 18.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.24 -35.26 49.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.11 -38.46 34.9 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.477 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.0 tptt -64.89 -26.31 68.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.769 0.319 . . . . 0.0 110.816 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 40' ' ' GLU . 48.7 t -54.08 -49.57 60.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.105 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 17.2 mmt -55.9 -45.68 78.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.805 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -69.22 -26.3 64.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.52 -33.15 59.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.811 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.2 mt -115.74 25.4 10.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 53.96 25.96 32.62 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.479 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -64.44 -177.13 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.855 0.36 . . . . 0.0 110.857 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -52.09 160.65 1.14 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.608 0.718 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 156.51 63.1 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.745 2.296 . . . . 0.0 112.289 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.518 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.82 -58.93 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.498 0.666 . . . . 0.0 111.088 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 53' ' ' THR . 54.0 Cg_endo -69.78 -22.44 32.0 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.656 2.237 . . . . 0.0 112.326 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -59.65 -35.43 74.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -78.27 -32.57 49.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' ' 54' ' ' PRO . 78.4 mt -54.67 -27.12 37.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.462 ' HG3' HD11 ' A' ' 61' ' ' ILE . 23.2 tt0 -53.26 -28.63 28.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -64.02 -32.53 74.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -50.58 49.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.462 HD11 ' HG3' ' A' ' 58' ' ' GLN . 28.6 pt -67.65 -26.65 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.34 -32.97 58.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -143.0 63.36 1.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.1 p -113.65 -36.15 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.173 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -75.08 145.14 42.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -71.28 -25.83 62.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -70.86 -10.67 60.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.17 46.39 94.6 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.526 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.7 p -103.96 -27.36 12.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.891 0.376 . . . . 0.0 110.893 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 79.92 18.8 71.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.534 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.6 t -152.59 147.84 26.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.808 0.337 . . . . 0.0 111.168 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -120.72 128.56 76.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -83.86 -169.41 2.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.828 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -61.06 -30.6 70.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.565 ' O ' HG23 ' A' ' 79' ' ' VAL . 0.4 OUTLIER -73.7 -53.27 10.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -64.94 -33.29 75.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -56.32 -50.82 70.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.4 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 0.4 OUTLIER -62.94 -37.23 86.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.585 ' O ' HG22 ' A' ' 82' ' ' VAL . 80.8 t -57.67 -26.16 26.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -23.4 62.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 15.1 mmt -52.67 -30.62 32.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.789 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.585 HG22 ' O ' ' A' ' 79' ' ' VAL . 18.1 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.795 0.331 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -51.74 -37.42 51.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.811 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.533 ' O ' HD13 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -76.58 -33.32 58.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.61 HD23 ' HA ' ' A' ' 154' ' ' LEU . 3.7 mp -70.43 -25.85 63.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 m -77.77 -25.97 49.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -94.44 -40.94 9.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.533 HD13 ' O ' ' A' ' 96' ' ' GLU . 6.1 mp -56.08 -32.08 63.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -57.96 -56.59 20.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.43 -24.63 59.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 3.4 tmm? -69.0 -53.0 22.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -65.07 -15.19 62.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -74.84 71.35 2.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.8 mttp -71.9 -26.11 62.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -74.0 -7.69 53.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 50.64 29.57 4.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 41.2 p-10 -100.92 -0.43 36.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.07 -23.53 29.0 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.518 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -109.22 175.88 5.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.851 0.358 . . . . 0.0 110.921 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.559 ' HB ' HD12 ' A' ' 148' ' ' ILE . 24.1 mm -103.19 139.75 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.103 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -109.76 165.6 11.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.4 mt -60.99 -54.81 40.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.405 ' HA ' ' HG2' ' A' ' 118' ' ' LYS . 76.9 m-20 -57.66 -20.87 36.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -81.4 -54.55 5.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.513 HD23 HG22 ' A' ' 112' ' ' ILE . 1.0 OUTLIER -70.94 -49.29 47.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.531 ' HA ' HD23 ' A' ' 121' ' ' LEU . 7.9 ptpt -59.0 -27.58 65.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -50.73 -29.8 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.083 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.92 -48.92 27.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.691 ' O ' HG22 ' A' ' 124' ' ' THR . 0.7 OUTLIER -68.92 -23.38 64.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.895 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -25.0 66.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -109.45 66.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.053 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.691 HG22 ' O ' ' A' ' 121' ' ' LEU . 14.6 t -165.88 28.8 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.151 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 93.07 -15.12 63.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.466 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 52.12 87.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.914 0.388 . . . . 0.0 110.926 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 16.8 p -91.32 -20.49 21.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.141 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.638 HD12 ' HB3' ' A' ' 132' ' ' ASP . 37.5 pt -113.07 169.94 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.5 p -105.44 173.06 6.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -57.24 -26.01 60.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -66.26 -25.74 67.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.638 ' HB3' HD12 ' A' ' 128' ' ' ILE . 13.2 t0 -79.06 -38.64 35.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.831 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.409 HD13 ' O ' ' A' ' 133' ' ' ILE . 0.4 OUTLIER -52.67 -28.54 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.37 -42.17 98.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.87 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -77.16 -30.11 54.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.927 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.29 -59.22 4.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.937 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -40.01 92.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.814 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -53.34 -32.68 50.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.908 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -83.93 -24.44 30.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -70.86 -59.58 5.05 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.49 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -77.71 90.08 3.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.858 0.361 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 7.6 tptp -114.58 16.98 17.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -99.01 21.6 11.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.0 t30 51.56 30.46 6.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -105.32 -26.11 12.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 87.55 4.21 80.26 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -153.98 156.84 38.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.788 0.327 . . . . 0.0 110.816 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.559 HD12 ' HB ' ' A' ' 112' ' ' ILE . 2.5 mt -85.44 109.0 17.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.144 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -106.43 -168.53 1.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.71 61.83 1.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -174.57 -36.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.61 ' HA ' HD23 ' A' ' 97' ' ' LEU . 10.5 mt . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.769 0.319 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -71.52 -10.49 59.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.406 ' CE2' HD13 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -42.47 -65.43 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 2.6 ptp -109.83 63.37 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 t0 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.791 0.329 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -52.85 -29.91 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.696 ' O ' HG23 ' A' ' 9' ' ' VAL . 17.7 m-85 -95.48 -54.14 3.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -51.88 -29.64 20.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.842 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.97 -53.33 55.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.102 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.643 ' HB2' HG12 ' A' ' 82' ' ' VAL . . . -71.04 -37.51 72.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 5' ' ' TYR . 91.1 t -54.06 -27.37 16.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.146 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -61.67 -18.28 58.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -122.38 -0.28 9.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.545 HD23 ' HA ' ' A' ' 9' ' ' VAL . 0.5 OUTLIER -51.0 114.47 1.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.926 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.7 p -146.58 163.35 36.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.091 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.08 -22.88 52.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -68.84 -42.32 77.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -75.64 -31.64 59.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -68.72 -42.79 77.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -82.03 -22.91 36.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -65.3 -52.16 55.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.491 ' C ' ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -90.99 17.43 7.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.24 -26.17 39.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.97 -39.81 69.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.15 -49.53 23.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.089 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.495 ' O ' HG22 ' A' ' 28' ' ' VAL . 1.2 m-85 -52.24 -33.76 42.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.68 -38.03 69.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 36.0 mt -80.45 -29.29 12.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.39 -42.5 78.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.83 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.608 HG11 HG21 ' A' ' 36' ' ' ILE . 32.7 m -99.62 25.57 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.5 tt -52.59 -29.82 27.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.52 -27.29 36.19 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.524 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.66 88.74 5.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.752 0.311 . . . . 0.0 111.109 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.28 -26.9 65.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -73.86 -14.95 61.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.42 28.31 55.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.541 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.9 t -97.29 108.48 21.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 110.849 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.608 HG21 HG11 ' A' ' 28' ' ' VAL . 15.1 tt -161.59 141.99 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.099 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.53 -74.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.72 -27.14 20.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.151 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -51.9 -31.78 29.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -57.57 -35.14 69.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.533 ' O ' HG12 ' A' ' 44' ' ' VAL . 18.5 mt -70.07 -61.96 1.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.86 -25.35 36.94 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.457 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.9 tptt -57.23 -26.36 60.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.821 0.343 . . . . 0.0 110.927 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.533 HG12 ' O ' ' A' ' 41' ' ' LEU . 10.8 p -54.46 -30.39 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -75.6 -36.19 60.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -69.93 -32.62 71.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 9.7 ttm -56.31 -29.88 61.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.1 mt -82.65 -19.04 39.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.29 46.51 49.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.486 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -114.45 -171.35 1.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.802 0.334 . . . . 0.0 110.899 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -53.29 160.68 1.63 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.573 0.702 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 171.24 14.85 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.722 2.282 . . . . 0.0 112.303 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.515 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.91 -58.98 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.583 0.706 . . . . 0.0 111.09 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 53' ' ' THR . 53.9 Cg_endo -69.73 -10.79 29.44 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.649 2.233 . . . . 0.0 112.404 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -65.62 -31.04 71.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -69.14 -50.12 50.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.32 -27.09 61.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -52.46 -35.43 52.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.96 -30.83 61.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.59 -47.06 28.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.567 ' O ' HG12 ' A' ' 64' ' ' VAL . 45.4 pt -58.54 -24.08 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.097 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.01 -30.2 24.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -119.61 57.71 0.9 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.567 HG12 ' O ' ' A' ' 61' ' ' ILE . 10.6 p -116.09 -23.17 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -51.84 103.49 0.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -63.5 -23.05 67.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -70.26 -10.83 60.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 58.85 19.74 45.17 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.48 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.9 p -93.23 -26.3 17.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.861 0.363 . . . . 0.0 110.84 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.34 19.62 64.48 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.5 t -149.28 142.17 24.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.85 0.357 . . . . 0.0 111.183 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.4 p -91.34 123.84 43.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.111 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.17 -177.36 5.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -58.26 -68.56 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.556 ' O ' HG23 ' A' ' 79' ' ' VAL . 2.0 p-10 -65.89 -32.12 73.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -56.11 -33.05 64.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.97 -38.22 81.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -78.94 -24.23 44.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.592 ' O ' HG22 ' A' ' 82' ' ' VAL . 21.6 t -79.84 -21.04 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -13.03 61.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -75.84 -24.1 55.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.823 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.643 HG12 ' HB2' ' A' ' 8' ' ' ALA . 5.3 m . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.147 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.786 0.327 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -51.42 -47.02 63.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.434 ' O ' HD13 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -68.38 -33.06 73.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.56 HD23 HD22 ' A' ' 154' ' ' LEU . 1.9 mp -67.44 -25.85 66.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 62.1 m -76.89 -34.71 57.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -86.21 -32.39 21.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.434 HD13 ' O ' ' A' ' 96' ' ' GLU . 2.4 mp -56.39 -37.19 69.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -56.59 -56.63 18.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.62 -28.21 66.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 8.7 ttt -72.41 -28.11 62.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -96.51 -25.71 15.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -76.2 67.25 2.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -79.65 -19.25 49.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -74.09 -7.82 53.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 49.97 32.04 5.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.085 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -102.86 -18.57 15.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.816 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 109.68 -34.27 5.57 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -109.3 169.65 8.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.909 0.385 . . . . 0.0 110.89 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.585 ' HB ' HD12 ' A' ' 148' ' ' ILE . 12.6 mm -95.73 134.89 31.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.3 168.13 9.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.576 HD23 ' HG3' ' A' ' 137' ' ' MET . 16.2 mt -55.14 -55.44 31.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.452 ' O ' HG13 ' A' ' 119' ' ' ILE . 2.2 m-20 -55.76 -20.22 14.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -87.87 -54.77 4.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.739 HD12 HD11 ' A' ' 133' ' ' ILE . 0.8 OUTLIER -67.01 -45.02 78.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.879 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.2 ptpt -52.3 -24.08 6.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 115' ' ' ASP . 70.5 mt -49.15 -35.75 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.121 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 4.0 ppp? -53.4 -39.06 63.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.36 -21.69 33.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -59.25 -27.05 65.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -84.72 -48.04 9.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 41.4 p -51.8 -60.82 2.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.136 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 87.92 26.8 28.09 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.54 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -57.81 -179.51 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.925 0.393 . . . . 0.0 110.92 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.8 t -105.27 67.72 0.79 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -124.74 176.37 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 70.4 p -97.35 160.61 14.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.219 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.556 ' O ' HG22 ' A' ' 133' ' ' ILE . 0.3 OUTLIER -70.71 -24.7 62.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.875 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.03 -19.3 58.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.939 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.43 -29.84 70.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.739 HD11 HD12 ' A' ' 117' ' ' LEU . 11.2 tp -51.63 -29.64 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -54.19 -27.04 31.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -73.92 -34.13 64.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.462 HD12 HD12 ' A' ' 133' ' ' ILE . 1.5 mt -64.59 -59.01 4.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.614 ' HG3' HD21 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -54.52 -36.85 64.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.809 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 18.5 tptt -51.39 -41.21 60.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.949 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -83.87 -21.39 31.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.8 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -64.14 -61.07 6.4 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -53.76 173.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.61 -40.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 62.8 m-20 -67.36 -79.68 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 176.03 -33.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -50.8 -30.56 14.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 91.23 8.62 64.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -112.39 143.79 42.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.311 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.585 HD12 ' HB ' ' A' ' 112' ' ' ILE . 4.5 mt -85.13 129.63 37.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.087 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -117.39 -166.71 1.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -70.06 -29.2 66.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.26 -30.53 17.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.56 HD22 HD23 ' A' ' 97' ' ' LEU . 1.5 mt . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.815 0.341 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -69.8 -10.99 60.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -44.51 -65.53 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -78.44 -30.84 47.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.856 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 1.1 tptp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.1 t70 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.79 0.329 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.621 HG23 ' CD1' ' A' ' 5' ' ' TYR . 4.6 tp -68.41 -26.19 33.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.738 ' O ' HG23 ' A' ' 9' ' ' VAL . 2.7 m-85 -114.25 -24.83 8.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -72.3 -25.69 61.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.73 -37.56 67.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.89 -33.23 65.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 5' ' ' TYR . 96.1 t -54.67 -26.41 16.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -65.8 -43.41 88.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -81.76 -25.23 35.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.459 ' CD1' HD13 ' A' ' 78' ' ' LEU . 1.6 mm? -55.45 133.5 50.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.558 HG22 ' OE1' ' A' ' 16' ' ' GLN . 2.4 t -146.53 142.11 27.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.166 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -55.8 -25.61 42.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -58.46 -58.29 9.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.558 ' OE1' HG22 ' A' ' 13' ' ' THR . 6.9 pt20 -75.62 -32.02 60.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.4 ttmt -60.83 -36.58 79.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -81.9 -22.92 36.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -65.23 -52.33 55.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.544 ' CZ ' HD12 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -91.16 17.56 8.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.899 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.83 -27.61 40.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -102.83 -28.67 11.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.81 -26.0 53.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.086 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.543 ' O ' HG22 ' A' ' 28' ' ' VAL . 24.5 t80 -64.55 -47.21 79.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.67 -30.4 71.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.4 mt -81.04 -26.51 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.075 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.4 -38.6 49.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 24' ' ' PHE . 27.2 m -99.77 25.14 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.4 tp -54.47 -29.26 49.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -77.5 -46.55 9.79 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.526 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.56 131.61 46.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -91.91 -34.16 14.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.18 -14.83 58.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.11 25.09 62.51 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.448 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.471 ' HA ' HG12 ' A' ' 72' ' ' VAL . 1.7 p -124.64 136.76 54.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.854 0.359 . . . . 0.0 110.812 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.9 pt -149.89 152.22 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.132 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.528 ' HB3' HD13 ' A' ' 61' ' ' ILE . 1.4 p -109.93 -23.25 11.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.3 -49.42 61.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.15 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.6 tttm 65.95 -126.41 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -98.12 -51.17 4.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.769 ' C ' HD22 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -70.77 -9.45 57.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.422 ' N ' HD13 ' A' ' 41' ' ' LEU . . . -76.62 -35.5 40.76 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.441 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -76.65 -47.22 22.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.348 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.2 p -53.9 -31.17 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.139 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 10.4 mmt -75.23 -39.98 59.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 -74.76 -25.77 59.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.81 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.652 ' C ' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -53.96 -55.6 25.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.853 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.652 HD13 ' C ' ' A' ' 47' ' ' MET . 0.2 OUTLIER -113.8 16.61 18.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 53.42 41.46 63.34 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.455 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -57.67 -179.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.896 0.379 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -51.55 161.02 0.89 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.57 0.7 . . . . 0.0 110.926 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 150.87 68.32 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.661 2.24 . . . . 0.0 112.371 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.5 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.95 -58.78 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.565 0.698 . . . . 0.0 111.203 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 53' ' ' THR . 53.2 Cg_endo -69.85 -16.09 37.04 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.732 2.288 . . . . 0.0 112.283 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -61.46 -30.92 70.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.938 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -78.88 -30.07 44.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.461 HD13 ' O ' ' A' ' 37' ' ' SER . 96.7 mt -52.31 -34.68 48.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -60.03 -32.79 71.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.51 -27.41 58.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.682 ' O ' HG13 ' A' ' 64' ' ' VAL . 2.4 ttm -74.79 -47.88 28.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.528 HD13 ' HB3' ' A' ' 37' ' ' SER . 36.4 pt -58.54 -23.34 22.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.142 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -52.1 -30.98 28.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -146.91 78.82 1.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.682 HG13 ' O ' ' A' ' 60' ' ' MET . 7.0 m -130.83 -39.68 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.76 104.14 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -88.9 -30.26 19.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -73.91 -10.71 59.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.79 60.21 3.75 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.475 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 89.6 p -118.69 -36.34 3.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 110.882 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.14 -20.75 44.09 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.48 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.8 t -131.54 150.78 52.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.831 0.348 . . . . 0.0 111.146 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.471 HG12 ' HA ' ' A' ' 35' ' ' SER . 6.4 p -85.04 124.01 39.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.062 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.03 179.61 7.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -59.3 -70.35 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -57.41 -27.15 62.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -72.34 -30.69 64.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -64.65 -31.36 72.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.544 HD12 ' CZ ' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -77.49 -26.45 51.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 66.9 t -76.23 -24.93 16.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 36.6 mmm -52.9 -29.42 28.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.816 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.21 -68.23 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 8.5 p . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.091 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 CA--C 1.526 0.042 0 CA-C-O 120.859 0.362 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -51.93 -30.05 22.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -52.27 -33.45 41.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -72.83 -33.48 66.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.0 p -61.93 -44.9 95.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -60.42 -51.68 68.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.6 mp -59.31 -37.95 79.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -60.93 -56.51 20.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.7 ptt180 -70.62 -16.49 62.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.26 -36.66 24.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.814 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -87.03 -16.65 35.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -77.45 59.64 1.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.94 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.96 -11.17 60.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -74.32 -7.67 53.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 50.45 30.75 4.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 45.7 p-10 -115.0 -14.77 11.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 102.81 -20.81 42.57 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.437 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -109.01 173.77 6.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.851 0.358 . . . . 0.0 110.934 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.509 HG21 HD21 ' A' ' 117' ' ' LEU . 10.7 mm -101.65 138.32 26.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.65 153.95 23.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.834 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.7 mt -47.55 -45.62 27.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -51.01 -49.84 59.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -62.83 -25.12 68.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.825 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.509 HD21 HG21 ' A' ' 112' ' ' ILE . 48.5 mt -80.91 -50.65 9.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.76 -46.08 76.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 50.2 mt -51.28 -30.29 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.079 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 16.3 ttp -62.17 -58.93 5.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.597 HD13 ' HB2' ' A' ' 126' ' ' GLU . 2.4 pp -72.77 -22.16 60.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -61.43 -25.59 67.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -51.82 -31.37 27.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.556 HG23 ' H ' ' A' ' 126' ' ' GLU . 2.0 t -119.55 -29.84 4.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 106.28 -15.82 42.48 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.519 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.597 ' HB2' HD13 ' A' ' 121' ' ' LEU . 2.6 tt0 50.97 -169.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.937 0.398 . . . . 0.0 110.878 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 10.9 t -123.78 28.2 6.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.18 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.655 HD12 ' HB3' ' A' ' 132' ' ' ASP . 40.9 pt -130.59 177.77 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 9.3 p -93.68 177.8 5.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.193 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -74.72 -29.39 61.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -59.98 -20.33 57.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.655 ' HB3' HD12 ' A' ' 128' ' ' ILE . 20.0 t0 -78.76 -40.36 33.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.825 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -54.14 -27.38 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -63.43 -26.6 68.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.96 -29.58 55.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.934 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.503 HD23 ' CE1' ' A' ' 156' ' ' PHE . 0.2 OUTLIER -51.28 -59.17 4.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.975 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -51.72 -49.45 62.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -62.76 -23.45 67.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.53 -58.24 4.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -73.85 -34.59 55.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.526 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -71.39 94.9 1.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.917 0.389 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.89 -20.39 14.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -69.14 -11.53 60.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 64.31 25.64 13.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 10.7 p30 -105.61 10.83 32.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 55.18 30.25 54.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.423 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -154.12 131.81 11.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.771 0.32 . . . . 0.0 110.845 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.438 HG23 ' HB2' ' A' ' 152' ' ' GLU . 83.3 mt -103.09 100.12 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -95.88 -160.64 0.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.15 62.27 0.9 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -165.86 -41.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.83 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.438 ' HB2' HG23 ' A' ' 148' ' ' ILE . 16.2 mp0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 10.9 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.775 0.322 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.61 -9.99 59.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.503 ' CE1' HD23 ' A' ' 136' ' ' LEU . 0.1 OUTLIER -42.32 -65.56 0.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 4.0 ptp -124.13 49.05 1.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.826 0.346 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.43 ' H ' HD13 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -93.75 -13.89 8.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -108.17 -28.37 9.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -77.19 -34.34 56.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.03 -33.57 74.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.11 -57.51 3.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.0 p -59.89 -26.64 36.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.078 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -52.45 -37.09 56.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -75.14 -29.27 60.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.64 150.98 42.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.535 HG23 ' HG2' ' A' ' 16' ' ' GLN . 9.4 t -85.43 137.97 32.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.078 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -71.89 -24.29 61.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -55.01 -50.92 67.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.535 ' HG2' HG23 ' A' ' 13' ' ' THR . 18.6 pt20 -75.55 -32.02 60.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -58.04 -43.03 86.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.84 -22.73 39.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.72 -52.3 57.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.508 ' C ' ' CD1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -92.6 19.52 7.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.67 -2.8 44.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.924 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -116.49 -32.29 5.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.48 -28.62 52.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -51.75 -35.24 42.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.05 -42.84 99.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.663 ' O ' HD22 ' A' ' 29' ' ' LEU . 78.1 mt -70.2 -21.34 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.6 -44.58 67.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.793 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.554 ' HB ' ' HB ' ' A' ' 36' ' ' ILE . 2.1 t -91.54 15.67 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.663 HD22 ' O ' ' A' ' 26' ' ' ILE . 1.4 pt? -53.07 -32.08 45.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.623 ' H ' HD23 ' A' ' 29' ' ' LEU . . . -143.16 36.13 1.61 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.445 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.447 ' HB2' HG13 ' A' ' 28' ' ' VAL . . . -60.11 -168.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.747 0.308 . . . . 0.0 111.088 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -52.48 -46.81 66.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.841 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.39 -19.41 12.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 56.88 33.09 62.97 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.827 ' HB3' HG12 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -51.14 -25.62 5.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 110.877 -179.722 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.554 ' HB ' ' HB ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -58.82 167.56 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.65 ' HB3' HG21 ' A' ' 61' ' ' ILE . 8.2 p -46.08 159.83 0.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.6 m -88.7 -26.25 21.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.457 ' CD ' HD22 ' A' ' 57' ' ' LEU . 3.8 mptt -50.61 101.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.03 -25.27 17.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.41 -22.89 34.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.947 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.24 -24.48 68.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.441 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.467 ' HB2' HG23 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -56.15 -50.95 69.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.808 0.337 . . . . 0.0 110.912 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.408 HG22 ' HG ' ' A' ' 48' ' ' LEU . 10.5 p -72.57 -29.98 32.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.7 mmt -55.63 -48.85 74.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.894 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.21 -46.47 28.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.31 -24.79 57.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.408 ' HG ' HG22 ' A' ' 44' ' ' VAL . 15.8 mt -83.68 -19.11 35.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.78 44.64 47.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.507 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -106.45 179.03 4.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.816 0.341 . . . . 0.0 110.908 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -56.16 160.59 4.63 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.636 0.731 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 164.7 33.56 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.824 2.349 . . . . 0.0 112.304 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.515 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.0 OUTLIER 178.86 -58.88 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.564 0.697 . . . . 0.0 111.114 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 53' ' ' THR . 53.2 Cg_endo -69.84 -10.17 27.85 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.694 2.263 . . . . 0.0 112.318 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -55.59 -32.75 63.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -65.19 -30.45 71.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.457 HD22 ' CD ' ' A' ' 39' ' ' LYS . 8.9 mt -57.71 -27.06 62.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.69 -27.88 63.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.949 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -75.13 -44.45 46.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 30.5 mtt -61.78 -41.76 98.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.701 ' O ' HG22 ' A' ' 64' ' ' VAL . 42.4 pt -76.44 -23.13 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -79.72 -7.62 58.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -114.51 32.57 5.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.701 HG22 ' O ' ' A' ' 61' ' ' ILE . 14.1 m -119.2 -29.53 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.087 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.514 ' HB2' HG22 ' A' ' 71' ' ' THR . 13.4 t0 -102.06 78.33 1.77 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -62.43 -17.24 58.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -103.53 -4.83 23.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 50.94 42.36 47.04 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.511 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -149.53 -42.04 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.934 0.397 . . . . 0.0 110.873 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -46.06 -49.13 14.2 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.464 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.514 HG22 ' HB2' ' A' ' 65' ' ' ASP . 6.9 t -111.67 176.01 5.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.745 0.307 . . . . 0.0 111.174 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.827 HG12 ' HB3' ' A' ' 35' ' ' SER . 3.1 p -101.18 102.37 13.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -97.8 -179.08 4.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -56.47 -33.69 66.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.811 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.463 ' O ' HG23 ' A' ' 79' ' ' VAL . 0.5 OUTLIER -74.25 -53.79 9.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -60.98 -29.97 69.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -73.7 -54.21 8.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.87 -48.09 78.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.687 ' O ' HG22 ' A' ' 82' ' ' VAL . 70.4 t -59.12 -24.72 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 6.5 mmt -84.22 -7.45 59.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.81 -8.33 54.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.687 HG22 ' O ' ' A' ' 79' ' ' VAL . 10.6 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.786 0.327 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -53.95 -27.57 31.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.84 -33.26 35.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.7 mt -52.01 -30.12 23.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 p -67.29 -36.72 82.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.77 -55.85 11.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.941 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -58.66 -33.01 69.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -51.89 -57.35 9.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -75.89 -35.71 59.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -47.9 69.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -72.28 -11.67 60.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -76.98 60.9 1.88 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.751 ' HE3' HD13 ' A' ' 119' ' ' ILE . 44.2 mttm -54.53 -44.72 73.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -76.86 -8.83 58.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 45.62 60.18 3.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.076 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -114.99 3.33 14.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 95.78 -32.95 5.86 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.511 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -108.94 176.24 5.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.841 0.353 . . . . 0.0 110.97 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.597 ' HB ' HD12 ' A' ' 148' ' ' ILE . 11.6 mm -112.24 130.34 66.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.099 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.58 147.01 33.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.96 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.737 HD12 ' N ' ' A' ' 115' ' ' ASP . 1.5 pp -49.75 -26.2 3.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.737 ' N ' HD12 ' A' ' 114' ' ' LEU . 0.6 OUTLIER -58.29 -42.11 85.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.826 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.831 ' HA ' HD12 ' A' ' 119' ' ' ILE . 2.7 mt-10 -82.57 -26.39 32.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.646 HD12 ' HA ' ' A' ' 114' ' ' LEU . 31.6 mt -72.34 -49.16 36.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -56.12 -38.69 71.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.831 HD12 ' HA ' ' A' ' 116' ' ' GLU . 58.2 mt -51.78 -29.83 11.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.28 -59.73 2.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.2 pp -59.42 -23.9 63.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -78.17 -16.35 57.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.73 -15.85 61.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.054 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.7 t -110.02 -40.94 4.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.076 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 57.28 33.99 66.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.09 -75.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.921 0.391 . . . . 0.0 110.864 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.7 t 178.33 82.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.149 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.1 pp -131.4 167.75 25.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 16.5 p -106.78 160.17 15.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -38.26 78.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -61.94 -18.86 61.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -70.31 -39.75 74.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.428 HD12 ' HB2' ' A' ' 114' ' ' LEU . 0.4 OUTLIER -55.84 -27.85 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -25.62 67.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.19 -29.3 54.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.569 HD22 ' HB3' ' A' ' 117' ' ' LEU . 1.5 mt -55.76 -59.22 5.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.933 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 2.7 tpt -71.43 -50.14 34.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 25.6 tptt -51.0 -63.11 1.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -67.36 -24.04 65.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.912 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -51.5 -53.92 26.55 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.519 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -54.7 168.77 0.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.887 0.375 . . . . 0.0 110.827 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -157.65 -39.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -64.77 -78.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 176.52 -32.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.28 -30.92 12.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 91.56 17.38 49.45 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.578 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -134.88 154.95 51.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.797 0.332 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.597 HD12 ' HB ' ' A' ' 112' ' ' ILE . 2.0 mt -85.66 100.5 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -101.34 -166.28 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.778 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -75.75 61.5 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -175.36 -36.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 -179.854 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 2.0 mt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.766 0.317 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -70.05 -10.76 59.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.496 ' CE2' HD13 ' A' ' 148' ' ' ILE . 0.1 OUTLIER -43.72 -65.73 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 4.2 ptp -122.84 55.85 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.797 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.406 ' O ' ' CB ' ' A' ' 4' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.747 0.308 . . . . 0.0 110.862 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.708 HG22 ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER 78.02 -40.19 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.137 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.708 ' CD1' HG22 ' A' ' 4' ' ' ILE . 7.1 m-85 -69.6 -30.41 68.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.94 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -77.98 -24.32 48.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.824 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.29 -38.78 65.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.09 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.16 -52.61 22.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.065 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.6 p -54.4 -26.71 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.082 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.2 tt0 -66.16 -35.31 80.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -105.63 24.68 11.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.937 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.571 HD21 ' HD3' ' A' ' 17' ' ' LYS . 5.1 tp -122.0 116.05 23.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.4 HG23 ' H ' ' A' ' 16' ' ' GLN . 8.5 t -74.38 131.05 40.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.132 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -57.83 -23.72 54.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -54.96 -55.68 28.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.4 ' H ' HG23 ' A' ' 13' ' ' THR . 3.7 pt20 -74.84 -32.56 61.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.571 ' HD3' HD21 ' A' ' 12' ' ' LEU . 14.7 ttpt -53.38 -37.35 62.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -81.12 -22.82 38.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.927 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -52.99 52.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.503 ' C ' ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -90.88 17.9 7.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.96 -27.36 39.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.05 -27.33 68.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.45 -25.01 59.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -80.83 -40.82 24.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.76 -28.22 60.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.3 mt -69.27 -31.8 51.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.44 -28.32 46.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.571 ' HB ' ' HB3' ' A' ' 31' ' ' ALA . 20.7 m -111.99 25.69 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.5 tp -54.79 -29.32 54.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -96.34 -21.65 21.72 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.476 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.571 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . . . -78.99 125.77 29.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.746 0.308 . . . . 0.0 111.08 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -87.38 -31.1 20.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.04 -14.88 37.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.64 25.39 75.21 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.501 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.4 t -100.62 105.39 16.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.818 0.342 . . . . 0.0 110.866 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.645 ' O ' HG11 ' A' ' 72' ' ' VAL . 1.1 pt -130.88 107.17 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.218 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.58 120.08 6.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.1 t -53.53 -31.26 45.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -53.11 106.39 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -52.06 -30.56 26.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.4 mt -59.59 -49.15 78.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.962 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.28 -26.67 63.32 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.466 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -50.4 57.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.815 0.341 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.2 p -64.56 -30.09 49.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.165 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 8.6 mmt -60.21 -46.52 89.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -55.77 -42.52 75.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 9.2 mtt -57.32 -26.05 60.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.95 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 mt -95.8 28.29 3.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.71 19.56 63.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 59.02 96.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.814 0.34 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -103.36 160.62 25.58 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.662 0.744 . . . . 0.0 110.856 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 115.16 3.96 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.613 2.209 . . . . 0.0 112.448 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.517 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.91 -58.86 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.542 0.687 . . . . 0.0 111.171 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 53' ' ' THR . 53.4 Cg_endo -69.72 -16.82 37.92 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.742 2.295 . . . . 0.0 112.38 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -56.31 -31.33 63.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -76.42 -34.23 58.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 82.6 mt -56.01 -28.81 58.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.973 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -54.07 -35.01 61.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.94 -31.32 63.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 7.4 ttt -74.22 -48.27 29.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 36.8 pt -61.45 -25.83 37.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.75 -31.15 36.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -109.87 32.91 4.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 72.5 t -130.1 -40.17 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -54.73 114.34 1.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -66.93 -31.74 72.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -84.97 -10.73 56.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 56.52 57.56 18.81 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 98.2 p -110.04 -41.93 4.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.893 0.378 . . . . 0.0 110.841 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 102.85 -19.71 46.11 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.516 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.9 t -125.94 151.55 46.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.853 0.359 . . . . 0.0 111.097 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.645 HG11 ' O ' ' A' ' 36' ' ' ILE . 6.4 p -90.36 124.49 43.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.183 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -87.2 -176.96 5.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.798 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -74.9 -35.08 62.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.45 -27.23 63.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -62.85 -39.67 95.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -65.13 -43.32 92.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.786 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.98 -29.84 31.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.7 t -57.22 -23.31 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -31.59 30.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -61.08 -64.88 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.954 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.743 0.306 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -52.49 -47.93 66.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -55.14 -33.78 63.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.413 HD22 HD23 ' A' ' 154' ' ' LEU . 0.2 OUTLIER -69.02 -27.68 65.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.58 -26.97 68.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -61.04 -64.16 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.494 HD12 ' HE2' ' A' ' 104' ' ' PHE . 4.3 mm? -56.41 -32.97 65.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.47 -55.7 28.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.805 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -25.76 66.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -26.71 56.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.494 ' HE2' HD12 ' A' ' 100' ' ' LEU . 8.5 m-85 -96.29 -24.95 15.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -75.62 69.04 2.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -77.47 -23.3 50.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -74.24 -7.99 54.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 49.05 32.4 3.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.03 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 18.0 p30 -108.87 -1.05 19.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 91.45 -19.58 46.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.534 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -108.61 170.87 7.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.943 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.506 HG21 HD21 ' A' ' 117' ' ' LEU . 14.3 mm -105.77 138.79 29.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.146 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -110.42 150.04 29.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.691 ' HA ' HD12 ' A' ' 117' ' ' LEU . 6.1 mt -49.94 -49.05 51.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.49 -30.06 18.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -81.02 -30.49 34.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.691 HD12 ' HA ' ' A' ' 114' ' ' LEU . 11.7 mt -75.99 -49.04 18.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.96 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.578 ' NZ ' HG21 ' A' ' 133' ' ' ILE . 0.2 OUTLIER -65.77 -28.32 68.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.812 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 1.5 mt -56.17 -31.94 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.073 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 13.7 tpt -69.93 -61.14 1.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.594 HD13 ' CG1' ' A' ' 128' ' ' ILE . 1.4 pp -60.14 -26.86 66.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.59 -26.19 66.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.99 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -138.33 85.84 2.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 3.9 t -159.64 -40.94 0.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 103.01 33.31 4.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -97.54 178.69 5.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 0.0 110.92 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.0 t -115.62 73.2 0.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.05 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.594 ' CG1' HD13 ' A' ' 121' ' ' LEU . 0.2 OUTLIER -131.13 167.12 26.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 179.818 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 18.5 p -100.92 160.74 14.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.102 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.546 ' O ' HG22 ' A' ' 133' ' ' ILE . 3.5 mt-10 -73.7 -29.51 62.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.953 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.16 -27.99 53.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.83 -34.46 54.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.619 HD11 ' HB2' ' A' ' 117' ' ' LEU . 11.1 tp -52.21 -29.55 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.44 -50.43 69.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -72.14 -29.44 64.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.462 ' C ' HD13 ' A' ' 136' ' ' LEU . 1.9 tm? -58.83 -59.08 6.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.482 ' SD ' HD11 ' A' ' 117' ' ' LEU . 15.4 tpt -50.84 -50.89 55.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp -64.09 -23.82 67.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.2 -6.61 50.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.87 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -108.77 -26.34 5.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.526 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -60.32 107.69 0.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.853 0.359 . . . . 0.0 110.809 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.31 -28.6 5.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 30.6 t30 -74.65 -7.18 52.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 64.84 42.65 4.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 28.1 p30 -117.49 -14.21 10.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 86.29 15.75 63.82 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.457 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -154.39 163.65 39.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.774 0.321 . . . . 0.0 110.897 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 23.7 mm -85.94 139.65 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -129.01 -175.04 3.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.8 61.23 1.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 179.99 -34.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.806 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 -179.916 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.413 HD23 HD22 ' A' ' 97' ' ' LEU . 2.6 mt . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.812 0.339 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -70.04 -10.26 58.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -42.62 -66.19 0.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 5.2 mtm -98.46 -43.75 6.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.816 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.932 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.479 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.856 0.36 . . . . 0.0 110.847 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.479 ' CG1' ' O ' ' A' ' 3' ' ' ASP . 4.8 pt 46.42 26.62 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.166 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.43 ' CD1' HG13 ' A' ' 4' ' ' ILE . 19.4 m-30 -120.36 -23.37 6.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.89 -11.98 59.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.25 -46.91 16.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.052 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.728 ' HB2' HG11 ' A' ' 82' ' ' VAL . . . -52.23 -55.37 21.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.041 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.6 p -58.41 -29.08 37.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -69.49 -28.51 66.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -114.96 34.76 4.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.1 mt -76.77 113.76 14.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.479 HG23 ' H ' ' A' ' 16' ' ' GLN . 8.3 t -114.14 131.84 56.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.184 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -55.3 -26.62 41.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -54.87 -59.22 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.558 ' HG3' HD11 ' A' ' 78' ' ' LEU . 8.9 pt20 -75.69 -32.11 59.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.96 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.56 -22.39 55.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.419 ' HA ' ' HG2' ' A' ' 21' ' ' LYS . 9.0 t-20 -87.11 -24.34 24.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -87.61 -47.56 8.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.498 ' C ' ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -65.01 -11.38 38.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.828 -179.855 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.419 ' HG2' ' HA ' ' A' ' 18' ' ' ASN . 0.0 OUTLIER -88.37 -18.81 27.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.22 -33.02 14.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.109 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.75 -54.68 6.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.083 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -60.4 -36.15 77.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.422 ' HA ' HG22 ' A' ' 28' ' ' VAL . 10.5 t70 -56.25 -27.71 56.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.8 mt -82.86 -25.19 8.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.072 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.4 -26.1 23.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.49 HG12 HG21 ' A' ' 36' ' ' ILE . 18.1 m -95.11 25.48 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.12 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.6 tp -52.6 -43.67 65.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -85.18 -33.76 16.6 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.521 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.541 ' HB1' ' H ' ' A' ' 35' ' ' SER . . . -71.28 107.66 4.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.673 0.273 . . . . 0.0 111.075 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -64.18 -35.08 79.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -109.88 24.33 13.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 62.41 28.54 71.26 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.481 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.541 ' H ' ' HB1' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -64.38 92.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.834 0.349 . . . . 0.0 110.937 -179.732 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.49 HG21 HG12 ' A' ' 28' ' ' VAL . 9.8 tt -174.52 128.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.199 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.97 -74.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.8 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.2 t -89.87 -33.68 16.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -89.62 56.18 3.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.925 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.441 ' HG3' HD12 ' A' ' 41' ' ' LEU . 18.8 pt-20 -61.69 -35.29 77.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.441 HD12 ' HG3' ' A' ' 40' ' ' GLU . 5.6 mp -72.31 -40.88 67.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.66 -27.17 73.09 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.533 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.408 ' HG3' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -57.01 -31.22 64.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.844 0.354 . . . . 0.0 110.895 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.3 t -54.97 -31.72 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.8 mmt -75.53 -38.37 59.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.65 -42.97 71.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 23.6 mtt -60.15 -25.34 65.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.8 mt -95.77 29.37 2.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.39 19.16 64.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.34 105.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -112.72 160.61 30.0 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.659 0.742 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 113.6 3.42 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.686 2.257 . . . . 0.0 112.348 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.507 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.94 -58.85 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.577 0.703 . . . . 0.0 111.204 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 53' ' ' THR . 54.2 Cg_endo -69.74 -15.73 37.3 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.377 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -55.71 -30.97 62.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -71.95 -30.4 65.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 67.8 mt -71.03 -27.08 63.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -52.06 -32.1 33.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -72.74 -34.81 67.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.832 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.79 -50.52 23.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.85 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 26.7 pt -59.73 -25.56 32.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.38 -29.38 48.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -102.45 29.36 5.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.3 t -128.14 -41.67 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -68.43 95.01 0.59 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -57.58 -25.7 60.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -70.68 -10.72 60.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 54.19 28.52 42.42 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.429 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 96.3 p -100.2 -28.37 13.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.927 0.394 . . . . 0.0 110.913 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 69.14 19.32 73.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.7 t -153.87 149.28 27.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.848 0.356 . . . . 0.0 111.117 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.403 ' O ' HG13 ' A' ' 72' ' ' VAL . 6.3 p -102.63 122.29 54.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -85.69 -170.22 3.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -65.22 -74.05 0.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -54.51 -27.02 35.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.414 ' HA ' HG23 ' A' ' 79' ' ' VAL . 5.0 mt-10 -55.63 -30.3 60.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -56.54 -33.49 66.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.558 HD11 ' HG3' ' A' ' 16' ' ' GLN . 0.3 OUTLIER -72.41 -24.8 61.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.414 HG23 ' HA ' ' A' ' 76' ' ' GLU . 51.9 t -60.25 -19.78 18.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 29.2 mmt -84.09 -7.85 59.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.7 mtp -93.36 -40.08 10.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.728 HG11 ' HB2' ' A' ' 8' ' ' ALA . 13.5 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.836 0.35 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.97 -26.55 37.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.32 -33.35 42.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.413 HD13 ' HB3' ' A' ' 154' ' ' LEU . 0.6 OUTLIER -54.84 -26.71 36.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 38.9 p -68.01 -28.14 67.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -66.82 -61.1 2.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.2 mp -56.41 -34.34 66.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.68 -55.93 21.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -16.72 64.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -86.07 -25.73 25.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -96.4 -34.88 11.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -77.46 60.07 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -73.07 -13.09 61.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -74.07 -7.76 53.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 50.27 31.39 5.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.115 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.2 p-10 -108.48 -3.87 17.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.43 -25.14 22.2 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.538 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -108.75 170.51 7.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.929 0.395 . . . . 0.0 110.924 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.492 HG21 HD21 ' A' ' 117' ' ' LEU . 22.5 mm -100.35 139.88 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.171 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.41 149.45 29.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.664 ' HA ' HD12 ' A' ' 117' ' ' LEU . 4.6 mt -49.24 -44.71 43.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.13 -35.09 33.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.786 ' HA ' HD12 ' A' ' 119' ' ' ILE . 6.1 mt-10 -81.19 -25.43 36.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.664 HD12 ' HA ' ' A' ' 114' ' ' LEU . 23.8 mt -77.92 -49.54 13.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.741 ' HA ' HD23 ' A' ' 121' ' ' LEU . 0.2 OUTLIER -62.73 -28.48 69.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 179.772 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.786 HD12 ' HA ' ' A' ' 116' ' ' GLU . 7.7 mt -52.76 -37.01 24.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.547 ' O ' HG23 ' A' ' 124' ' ' THR . 0.3 OUTLIER -69.52 -29.26 66.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.825 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.741 HD23 ' HA ' ' A' ' 118' ' ' LYS . 0.3 OUTLIER -84.4 -25.18 29.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -82.3 -22.62 35.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -95.27 26.73 3.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 120' ' ' MET . 57.6 p -125.62 -45.59 1.77 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 100.37 17.18 25.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.453 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.58 -176.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.921 0.391 . . . . 0.0 110.895 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.6 p -131.22 70.75 1.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.085 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.448 HD11 HD13 ' A' ' 121' ' ' LEU . 0.2 OUTLIER -130.65 174.93 12.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.885 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.5 p -99.26 162.64 12.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -74.38 -29.34 61.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.24 -27.03 43.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -71.3 -41.89 69.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.846 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.6 -27.86 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -62.41 -33.28 74.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -72.33 -30.06 64.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.79 -58.81 5.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -54.05 -37.17 63.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -71.47 -25.34 62.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -77.66 -58.13 3.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -58.6 -30.88 66.09 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -51.5 109.87 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.919 0.39 . . . . 0.0 110.828 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -117.66 -27.97 6.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -79.25 -2.61 41.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 67.1 t30 63.49 26.08 14.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -101.35 -20.13 15.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.821 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 90.13 21.28 39.22 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -153.98 160.4 42.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.761 0.315 . . . . 0.0 110.893 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 22.5 mm -85.91 139.44 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.181 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -131.1 -173.98 3.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.37 60.42 1.55 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.964 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 179.13 -33.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.82 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.903 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.413 ' HB3' HD13 ' A' ' 97' ' ' LEU . 1.6 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.771 0.32 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -70.41 -9.69 57.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -42.16 -66.12 0.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 14.5 mmt -59.79 -39.48 85.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 1.5 mptt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.935 179.954 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.3 t70 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.8 0.333 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.513 HD12 ' CE1' ' A' ' 5' ' ' TYR . 1.0 OUTLIER -50.79 -35.35 13.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.513 ' CE1' HD12 ' A' ' 4' ' ' ILE . 22.3 m-85 -104.19 -40.26 6.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -61.49 -17.97 56.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.14 -51.42 25.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.138 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.32 -26.46 40.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 91.1 t -52.1 -40.64 30.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -63.6 -30.27 71.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -111.05 29.48 7.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.954 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 mt -56.5 128.72 37.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.1 p -118.06 131.5 56.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.151 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -68.54 -25.54 64.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.71 -26.98 47.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -59.92 -32.29 70.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -57.72 -33.81 68.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -81.33 -22.9 38.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -52.92 51.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.492 ' C ' ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -90.66 17.73 7.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.97 -25.9 40.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.23 -30.72 10.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.089 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.44 -27.33 58.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.079 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.673 ' O ' HG22 ' A' ' 28' ' ' VAL . 49.7 t80 -75.97 -31.31 58.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.818 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -72.1 -30.13 64.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.836 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.4 mt -81.74 -38.88 16.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -30.71 71.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.673 HG22 ' O ' ' A' ' 24' ' ' PHE . 21.9 m -106.67 26.26 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.3 tt -54.22 -34.7 61.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -94.97 -33.26 6.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.505 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.17 111.59 17.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.756 0.312 . . . . 0.0 111.075 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -79.34 -26.76 42.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.94 -14.82 59.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.827 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.93 28.06 55.19 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -98.86 118.87 36.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.839 0.352 . . . . 0.0 110.837 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.482 ' CG2' HG12 ' A' ' 28' ' ' VAL . 1.3 pt -152.26 98.57 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.105 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.0 p -179.32 -60.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.806 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 44.6 p -54.32 -41.59 69.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.163 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.01 37.57 1.94 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -68.55 -40.57 80.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.5 mt -71.97 -45.63 60.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.14 -25.22 75.91 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.494 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -33.66 66.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.9 t -56.81 -38.45 58.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.123 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.7 mmt -68.52 -28.87 67.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.9 ttm-85 -66.8 -27.08 67.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 5.4 mtt -69.19 -24.65 64.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 75.7 mt -95.41 26.6 3.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.3 17.99 59.78 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.501 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.25 101.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.755 0.312 . . . . 0.0 110.932 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -116.0 160.56 34.9 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.541 0.686 . . . . 0.0 110.998 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 114.87 3.84 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.659 2.24 . . . . 0.0 112.386 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.516 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.93 -58.86 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.559 0.695 . . . . 0.0 111.181 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 53' ' ' THR . 54.5 Cg_endo -69.75 -10.32 28.27 Favored 'Trans proline' 0 N--CA 1.466 -0.135 0 C-N-CA 122.716 2.278 . . . . 0.0 112.403 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -55.64 -41.45 73.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.957 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -79.22 -32.55 43.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.1 mt -68.08 -27.15 66.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.13 -29.96 24.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -74.32 -35.8 63.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.98 -50.53 27.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.618 ' O ' HG12 ' A' ' 64' ' ' VAL . 29.5 pt -58.76 -25.0 27.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.089 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.98 -34.47 42.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.6 58.19 1.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.618 HG12 ' O ' ' A' ' 61' ' ' ILE . 10.9 p -117.07 -27.84 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.07 105.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -72.06 -35.45 69.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.9 p30 -77.62 -10.69 59.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.24 57.21 19.48 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.475 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 45.4 p -118.83 -36.56 3.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.91 0.386 . . . . 0.0 110.84 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 92.93 -20.11 47.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.461 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.2 t -143.2 165.97 25.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.87 0.367 . . . . 0.0 111.168 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.479 HG11 HG13 ' A' ' 36' ' ' ILE . 6.4 p -91.94 128.71 43.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.162 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -87.05 177.5 7.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -70.43 -40.87 73.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.648 ' O ' HG23 ' A' ' 79' ' ' VAL . 0.2 OUTLIER -72.66 -26.34 61.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -55.48 -52.87 62.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.39 -36.15 78.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 mp -58.6 -26.52 63.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 75' ' ' ASP . 91.3 t -62.51 -25.35 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -80.18 -26.11 39.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -25.88 60.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.899 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 79' ' ' VAL . 19.1 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.153 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.863 0.363 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.51 -26.2 53.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -52.81 -33.65 50.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -52.53 -32.32 40.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.6 p -59.54 -47.52 85.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.839 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -69.32 -41.25 76.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.511 HD12 ' HE2' ' A' ' 104' ' ' PHE . 3.3 mm? -56.48 -37.99 71.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -51.99 -56.59 13.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.67 -24.77 61.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.12 -25.5 62.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.839 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.511 ' HE2' HD12 ' A' ' 100' ' ' LEU . 6.0 m-85 -96.53 -22.87 16.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -77.03 60.49 1.84 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 45.1 mttm -66.41 -22.48 66.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.844 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -78.08 -9.08 58.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 46.53 34.39 2.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.082 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -104.43 4.67 33.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.99 -29.61 7.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.476 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -108.53 174.89 5.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.879 0.371 . . . . 0.0 110.938 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.58 ' HB ' HD12 ' A' ' 148' ' ' ILE . 23.7 mm -101.28 139.63 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.145 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.35 157.94 16.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.8 mt -59.22 -55.57 33.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -56.86 -21.67 31.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -81.62 -54.06 5.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.55 HD12 ' N ' ' A' ' 118' ' ' LYS . 1.6 pp -69.61 -49.53 53.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.55 ' N ' HD12 ' A' ' 117' ' ' LEU . 8.4 ptpt -60.91 -26.67 67.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.936 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -50.48 -29.79 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.1 ttt -70.23 -39.2 75.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.682 HD13 ' CG1' ' A' ' 128' ' ' ILE . 0.5 OUTLIER -76.24 -23.21 54.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.958 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.0 -14.5 63.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -89.03 -12.64 40.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.5 t -112.3 -43.35 3.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 57.38 34.84 69.2 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.471 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.36 -76.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.915 0.388 . . . . 0.0 110.882 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -166.8 27.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.682 ' CG1' HD13 ' A' ' 121' ' ' LEU . 17.3 pt -120.06 148.24 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 32.5 p -105.35 175.89 5.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -74.85 -38.87 61.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.83 -35.91 46.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.2 -47.56 15.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.537 HD12 ' CD1' ' A' ' 117' ' ' LEU . 0.4 OUTLIER -52.93 -27.3 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.172 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -56.67 -52.41 65.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.07 -29.88 68.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.03 -27.56 61.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 2.0 ttm -51.47 -46.04 62.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.53 -25.59 64.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -85.29 -0.58 55.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . 0.746 ' O ' HG23 ' A' ' 148' ' ' ILE . . . -131.1 -1.92 4.78 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.528 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 35.7 p-10 -100.38 -161.86 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.382 . . . . 0.0 110.844 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -76.21 8.55 3.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.825 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . 0.62 HD22 ' N ' ' A' ' 143' ' ' ASN . 0.9 OUTLIER 63.8 14.41 8.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.895 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -178.94 26.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -142.64 -4.27 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 50.2 27.94 12.18 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 7.4 mtt85 -138.8 134.02 32.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.35 . . . . 0.0 110.879 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.746 HG23 ' O ' ' A' ' 140' ' ' GLY . 3.2 mt -92.42 98.52 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.91 178.96 7.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -76.92 62.68 2.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . 0.47 ' O ' HD12 ' A' ' 154' ' ' LEU . 8.1 t70 -171.1 -37.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.921 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.966 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.47 HD12 ' O ' ' A' ' 151' ' ' ASP . 1.2 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.752 0.311 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -85.2 -8.01 58.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -40.25 -65.72 0.38 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -33.85 67.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.935 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.955 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.678 ' C ' HD13 ' A' ' 4' ' ' ILE . 5.6 m-20 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.748 0.309 . . . . 0.0 110.813 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.678 HD13 ' C ' ' A' ' 3' ' ' ASP . 0.2 OUTLIER 39.95 30.79 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.17 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.693 ' O ' HG23 ' A' ' 9' ' ' VAL . 20.0 m-85 -127.39 -69.53 0.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.46 -15.15 59.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.02 -33.0 22.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.076 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.1 -35.51 49.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 5' ' ' TYR . 99.3 t -62.22 -26.13 39.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.175 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -51.15 -47.8 62.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.1 -21.31 60.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.457 HD12 HE22 ' A' ' 16' ' ' GLN . 3.8 mm? -78.02 178.01 7.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.0 t -120.47 131.21 54.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -59.14 -26.83 65.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -56.44 -27.28 56.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.457 HE22 HD12 ' A' ' 12' ' ' LEU . 9.0 pt20 -56.81 -32.44 65.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.8 ttpp -58.19 -39.76 79.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.21 -22.82 38.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -64.96 -53.07 52.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.695 ' CZ ' HD13 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -90.74 17.69 7.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.84 -26.83 40.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.71 -29.73 10.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.135 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.96 -25.19 52.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -65.25 -43.52 91.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -28.42 67.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.5 mt -82.68 -35.28 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -58.37 8.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.661 HG12 HG21 ' A' ' 36' ' ' ILE . 19.2 m -97.13 26.45 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 30.2 tp -51.94 -30.07 23.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -102.66 -32.62 4.73 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.496 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.636 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . . . -57.1 123.99 17.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 0.0 111.05 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -93.01 -27.62 16.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.74 -14.89 59.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.814 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 60.91 27.32 66.73 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.455 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.6 t -111.2 112.93 25.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.864 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.661 HG21 HG12 ' A' ' 28' ' ' VAL . 5.0 pt -150.74 150.32 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.1 m -153.87 24.28 0.5 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.42 HG22 ' HA3' ' A' ' 42' ' ' GLY . 0.6 OUTLIER -55.31 -51.25 67.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.097 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.8 mttm 59.3 -116.99 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.572 ' O ' HG22 ' A' ' 44' ' ' VAL . 1.8 tt0 -95.92 -64.29 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 mp -52.34 -27.05 13.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.42 ' HA3' HG22 ' A' ' 38' ' ' THR . . . -81.65 -49.81 5.26 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.457 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -32.13 73.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.87 0.367 . . . . 0.0 110.951 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.572 HG22 ' O ' ' A' ' 40' ' ' GLU . 23.4 m -75.37 -39.92 42.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.424 ' N ' HG23 ' A' ' 44' ' ' VAL . 7.7 ptt? -76.98 -31.38 56.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -76.07 -34.92 59.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.815 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 20.0 mtt -84.24 -55.58 4.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.9 mt -68.99 -19.4 64.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 53.56 30.99 43.63 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.48 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -52.14 170.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.785 0.326 . . . . 0.0 110.918 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -51.85 160.9 1.01 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.668 0.747 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 130.44 19.31 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.711 2.274 . . . . 0.0 112.358 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.52 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.85 -58.93 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.511 0.672 . . . . 0.0 111.13 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 53' ' ' THR . 53.3 Cg_endo -69.78 -8.3 23.25 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.258 . . . . 0.0 112.31 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -55.52 -30.6 60.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -53.33 -29.9 36.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 61' ' ' ILE . 14.3 mt -52.04 -29.92 23.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -62.07 -37.77 86.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -75.53 -28.55 59.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.6 -46.14 23.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.567 HG23 ' O ' ' A' ' 57' ' ' LEU . 47.8 pt -58.66 -24.29 25.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.065 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -53.22 -28.63 27.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.906 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -114.93 71.97 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 61' ' ' ILE . 23.9 m -124.0 -37.59 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.108 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -53.1 102.9 0.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -73.63 -36.06 65.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.0 p-10 -80.8 -10.76 59.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.9 65.48 2.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.7 p -115.99 -36.19 4.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.935 0.398 . . . . 0.0 110.913 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.43 -24.65 30.95 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.533 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.9 t -121.14 165.61 15.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.773 0.321 . . . . 0.0 111.164 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.6 p -119.25 124.28 72.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.1 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.28 -175.99 4.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -61.56 -73.56 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.419 ' O ' HG23 ' A' ' 79' ' ' VAL . 0.2 OUTLIER -55.02 -28.83 55.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.6 -45.96 81.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.1 -51.56 69.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.695 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 2.3 mp -54.13 -38.4 65.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 75' ' ' ASP . 94.4 t -76.89 -22.9 14.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.88 -26.47 29.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -54.66 42.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 32.3 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 179.919 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.844 0.354 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -54.82 -26.68 36.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.53 -33.87 47.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.434 HD13 HD22 ' A' ' 154' ' ' LEU . 0.5 OUTLIER -55.47 -26.23 41.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.977 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 57.1 p -61.79 -33.13 73.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -66.93 -63.09 1.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.3 mp -56.5 -30.96 63.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -51.93 -57.44 9.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -75.79 -31.35 59.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -30.54 22.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -96.27 -26.43 15.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -68.24 87.19 0.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.802 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.0 mttp -88.27 -24.49 23.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 39.3 m-20 -80.75 -7.92 59.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 49.35 32.41 4.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.074 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.3 p-10 -96.45 2.61 52.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.35 -28.25 10.23 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.505 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -108.89 175.95 5.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.936 0.398 . . . . 0.0 110.92 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 12.7 mm -108.5 139.34 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.173 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.85 136.16 42.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.93 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.774 HD12 ' N ' ' A' ' 115' ' ' ASP . 0.6 OUTLIER -56.17 -21.66 24.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.981 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.774 ' N ' HD12 ' A' ' 114' ' ' LEU . 74.6 m-20 -78.7 -23.68 45.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.925 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -85.24 -49.91 7.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.573 HD12 ' N ' ' A' ' 118' ' ' LYS . 2.2 pp -64.29 -43.13 95.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.573 ' N ' HD12 ' A' ' 117' ' ' LEU . 17.5 ptpt -54.74 -25.52 28.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 71.2 mt -50.6 -29.92 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -61.64 1.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.768 HD21 HG12 ' A' ' 133' ' ' ILE . 2.1 pp -65.0 -16.87 63.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -82.84 -20.96 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.945 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.47 -70.15 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.4 HG23 ' N ' ' A' ' 125' ' ' GLY . 3.5 t -51.24 -44.29 61.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.15 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.4 ' N ' HG23 ' A' ' 124' ' ' THR . . . 56.98 33.5 64.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.503 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.565 ' O ' HG23 ' A' ' 127' ' ' THR . 5.7 tt0 -51.45 -75.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.908 0.385 . . . . 0.0 110.87 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 126' ' ' GLU . 0.2 OUTLIER -168.99 77.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.207 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.55 159.73 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.099 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 70.2 p -106.6 160.25 15.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.148 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -75.04 -24.47 58.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -60.57 -25.85 66.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.807 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.17 -43.6 23.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.82 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.768 HG12 HD21 ' A' ' 121' ' ' LEU . 0.4 OUTLIER -54.92 -27.3 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.181 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -63.91 -27.65 69.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.95 -29.54 55.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.54 -59.14 4.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.8 ttm -60.97 -29.23 69.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -69.22 -45.45 69.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -71.1 -47.48 57.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -52.86 -41.06 58.11 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.556 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -70.32 92.81 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.359 . . . . 0.0 110.843 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -105.27 -18.93 13.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -80.12 -6.68 58.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 63.42 80.69 0.22 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -150.35 -40.78 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 116.28 10.09 11.06 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -154.03 164.82 37.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.737 0.304 . . . . 0.0 110.908 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 13.6 mm -86.32 100.76 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.064 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.47 -170.99 2.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -74.82 -27.02 60.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.29 -12.26 35.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.434 HD22 HD13 ' A' ' 97' ' ' LEU . 5.4 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.74 0.305 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -68.62 -10.65 57.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.57 -64.68 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 8.6 mmt -76.08 60.42 1.43 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.945 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.775 0.321 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.541 ' N ' HD13 ' A' ' 4' ' ' ILE . 0.2 OUTLIER -49.71 -28.3 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.423 ' CD1' HG12 ' A' ' 4' ' ' ILE . 21.7 m-85 -109.2 -25.39 10.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -71.59 -26.68 62.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.63 -41.78 83.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.073 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.474 ' HB2' ' CG2' ' A' ' 82' ' ' VAL . . . -57.57 -43.34 84.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.2 t -53.57 -34.43 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -60.02 -42.31 94.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -104.64 24.37 11.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.605 HD21 ' HD2' ' A' ' 17' ' ' LYS . 5.3 tp -125.38 111.36 15.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.85 148.3 22.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -52.49 -34.33 48.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -60.22 -59.05 6.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -66.9 -31.5 72.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.943 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.605 ' HD2' HD21 ' A' ' 12' ' ' LEU . 9.6 ttpt -58.12 -22.0 48.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.409 ' HA ' ' HG2' ' A' ' 21' ' ' LYS . 3.5 t-20 -87.3 -24.31 24.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.76 -46.88 9.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.638 ' CE1' HD12 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -65.84 -10.78 41.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.682 ' HB2' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -88.44 -13.06 41.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.447 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -67.45 -46.97 71.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.04 -23.62 47.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -74.62 -30.78 61.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -76.62 -27.27 55.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.844 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.447 HG23 ' O ' ' A' ' 22' ' ' ALA . 0.1 OUTLIER -84.12 -28.07 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -41.5 75.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.496 ' HB ' ' HB3' ' A' ' 31' ' ' ALA . 22.8 m -95.37 26.5 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.104 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.9 tt -51.89 -30.33 23.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -90.96 -21.83 34.85 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.438 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.496 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . . . -91.06 124.22 35.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.742 0.306 . . . . 0.0 111.07 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -93.17 -25.65 17.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.09 -14.89 61.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.01 17.95 68.32 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.465 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.4 m -112.61 125.4 54.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.346 . . . . 0.0 110.857 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.434 HG21 HG12 ' A' ' 28' ' ' VAL . 1.3 pt -152.91 100.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.163 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 p -158.6 26.28 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.2 -37.11 24.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.179 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -173.33 64.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -88.57 -34.9 17.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.601 HD21 HG21 ' A' ' 61' ' ' ILE . 3.4 pp -69.97 -41.1 74.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.444 ' N ' HD12 ' A' ' 41' ' ' LEU . . . -76.1 -25.19 67.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.476 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.81 -25.65 56.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 41' ' ' LEU . 18.6 m -54.15 -30.52 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.12 -28.75 64.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -75.82 -34.24 60.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -26.7 38.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 75.9 mt -105.05 -19.09 13.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.66 46.67 13.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -97.32 -176.15 3.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.792 0.329 . . . . 0.0 110.927 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -72.6 160.6 82.41 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.649 0.738 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 153.69 68.67 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.692 2.261 . . . . 0.0 112.34 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.517 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.89 -58.89 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.584 0.707 . . . . 0.0 111.151 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 53' ' ' THR . 53.4 Cg_endo -69.77 -14.48 36.12 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.682 2.255 . . . . 0.0 112.338 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -55.72 -30.92 61.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -66.89 -30.26 70.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.432 HD13 ' CD1' ' A' ' 41' ' ' LEU . 9.8 mt -55.14 -27.09 42.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -51.98 -35.19 45.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -75.3 -31.23 60.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.0 -47.14 30.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.669 ' O ' HG12 ' A' ' 64' ' ' VAL . 47.0 pt -58.56 -25.31 27.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -52.02 -30.05 23.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -128.67 50.64 2.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.669 HG12 ' O ' ' A' ' 61' ' ' ILE . 11.1 p -112.07 -25.35 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.153 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.66 102.85 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -72.52 -32.69 66.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -74.67 -10.73 59.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 62.28 63.26 4.86 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 80.8 p -121.08 -34.18 3.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 110.841 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.25 -26.75 15.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.449 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.8 t -122.2 173.23 7.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.817 0.341 . . . . 0.0 111.14 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.1 t -113.38 119.17 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.13 -170.32 2.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.567 ' O ' HD23 ' A' ' 78' ' ' LEU . 9.9 m-85 -88.55 -28.07 20.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -66.67 -50.73 61.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.833 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -69.21 -30.23 68.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -73.47 -49.95 24.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.682 HD11 ' HB2' ' A' ' 21' ' ' LYS . 2.5 mm? -51.68 -43.28 62.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.652 ' O ' HG12 ' A' ' 82' ' ' VAL . 14.7 p -75.35 -24.78 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.3 mtp -68.24 -17.09 64.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.84 -34.71 41.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.652 HG12 ' O ' ' A' ' 79' ' ' VAL . 6.8 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.104 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.829 0.347 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.49 -40.24 92.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -69.3 -34.08 74.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.402 ' HB3' HD22 ' A' ' 154' ' ' LEU . 5.5 mt -55.43 -30.78 61.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.43 -24.11 50.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -86.27 -47.89 9.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.632 HD12 ' HE2' ' A' ' 104' ' ' PHE . 4.4 mm? -62.2 -31.86 72.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -59.6 -56.52 20.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -75.53 -25.08 56.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 13.5 tpt -70.39 -44.86 67.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.632 ' HE2' HD12 ' A' ' 100' ' ' LEU . 8.6 m-85 -77.63 -11.72 59.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -76.58 62.86 1.99 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -67.13 -14.33 62.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -76.02 -8.57 57.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 48.86 31.95 3.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 53.8 p-10 -115.79 -13.08 11.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 105.28 -19.73 39.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.484 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -109.07 175.87 5.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.886 0.374 . . . . 0.0 110.888 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 11.7 mm -102.82 137.67 30.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.159 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -110.63 158.86 18.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 14.1 mt -53.43 -50.65 64.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.729 ' O ' HD12 ' A' ' 119' ' ' ILE . 1.6 m-20 -53.47 -44.53 69.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.848 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -57.88 -54.89 41.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.576 ' CD1' HD11 ' A' ' 133' ' ' ILE . 2.9 pp -68.36 -24.65 64.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.609 ' HG3' HD12 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -58.17 -50.59 73.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.786 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.729 HD12 ' O ' ' A' ' 115' ' ' ASP . 2.4 mp -57.49 -35.52 50.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.4 tpt -62.66 -61.47 2.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 1.044 HD13 HD11 ' A' ' 128' ' ' ILE . 1.6 pp -66.87 -20.13 65.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -67.64 -25.03 65.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.22 -18.37 65.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.091 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -167.4 -65.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.179 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 89.8 -15.6 58.73 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.464 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 71.62 -70.5 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.947 0.403 . . . . 0.0 110.897 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -167.51 28.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 1.044 HD11 HD13 ' A' ' 121' ' ' LEU . 1.8 pt -93.3 167.88 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.66 177.31 4.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.159 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.488 ' O ' HG22 ' A' ' 133' ' ' ILE . 17.7 mt-10 -68.92 -49.0 61.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -68.88 -18.97 64.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.58 -29.27 69.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.609 HD12 ' HG3' ' A' ' 118' ' ' LYS . 3.5 tt -49.3 -32.35 5.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.093 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.41 -42.99 67.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -68.79 -30.06 68.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.15 -58.88 6.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 15.8 tpt -59.59 -54.19 49.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 15.5 mmtt -51.73 -43.41 62.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -71.89 -25.53 61.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . 0.582 ' HA3' HD11 ' A' ' 148' ' ' ILE . . . -55.54 -50.69 59.15 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.465 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -81.58 130.6 35.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.852 0.358 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.02 -11.58 9.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -67.28 -77.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 175.38 -36.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.63 -35.01 40.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 104.52 -11.69 50.59 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.455 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -112.39 157.75 20.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.827 0.346 . . . . 0.0 110.827 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.582 HD11 ' HA3' ' A' ' 140' ' ' GLY . 22.4 mt -88.39 138.27 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -134.32 -162.7 1.28 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -75.25 60.57 1.1 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -175.99 -36.42 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 28.5 mp0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.91 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.402 HD22 ' HB3' ' A' ' 97' ' ' LEU . 1.9 mt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.734 0.302 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -85.33 -8.33 58.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.851 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -41.14 -65.86 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 3.2 ptp -116.22 30.86 7.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.943 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.835 0.35 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.707 ' HB2' ' HB2' ' A' ' 7' ' ' ALA . 10.2 m-20 64.65 155.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.84 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.39 -57.88 3.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.545 HG23 ' CD1' ' A' ' 5' ' ' TYR . 2.5 tp -164.54 -36.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.186 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.545 ' CD1' HG23 ' A' ' 4' ' ' ILE . 1.4 m-85 -98.3 -30.53 12.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.961 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.479 ' O ' HG12 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -70.64 -12.19 61.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.707 ' HB2' ' HB2' ' A' ' 2' ' ' ASP . . . -87.96 -46.26 9.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.564 ' HB2' ' CG2' ' A' ' 82' ' ' VAL . . . -64.76 -37.75 88.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.479 HG12 ' O ' ' A' ' 6' ' ' LYS . 8.2 p -51.52 -30.64 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -59.52 -40.12 86.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -107.68 10.77 28.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.595 HD21 ' OE1' ' A' ' 16' ' ' GLN . 8.2 tp -120.6 140.02 52.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.537 ' N ' HD12 ' A' ' 12' ' ' LEU . 9.9 t -92.64 130.8 38.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.152 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -67.45 -18.25 65.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.67 -26.21 31.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.595 ' OE1' HD21 ' A' ' 12' ' ' LEU . 4.6 pt20 -55.42 -31.02 61.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.41 -39.03 56.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -81.26 -22.99 38.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -65.26 -52.76 52.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.52 ' CZ ' HD13 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -89.93 16.77 7.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.91 -27.26 36.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.927 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.27 -58.53 5.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.07 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.08 -25.8 65.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.515 ' O ' HG22 ' A' ' 28' ' ' VAL . 28.2 t80 -75.27 -48.21 24.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.3 -30.37 69.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.5 mt -79.63 -25.18 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -85.02 -28.97 25.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.567 HG12 HG23 ' A' ' 36' ' ' ILE . 34.1 m -97.04 25.53 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.6 -37.98 63.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -98.99 -21.07 16.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.539 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.434 ' HB1' ' H ' ' A' ' 35' ' ' SER . . . -78.92 126.56 30.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.745 0.307 . . . . 0.0 111.118 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -88.5 -31.32 18.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -104.24 24.36 11.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.825 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 66.33 25.39 72.45 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.434 ' H ' ' HB1' ' A' ' 31' ' ' ALA . 92.4 p -80.9 108.51 14.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.83 0.348 . . . . 0.0 110.881 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.567 HG23 HG12 ' A' ' 28' ' ' VAL . 1.0 OUTLIER -147.5 -179.09 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.166 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.48 135.78 35.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.819 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.8 p -75.61 -27.1 58.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.129 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.87 103.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -92.5 -56.36 3.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.839 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.6 mt -71.29 -46.24 61.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.92 -25.91 39.33 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.5 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.78 -50.33 25.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.1 m -70.63 -26.68 28.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.13 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -45.33 39.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -74.07 -27.84 61.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 9.1 mtt -56.94 -27.92 61.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.2 mt -70.08 -18.95 63.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.969 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 79.4 46.81 7.81 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -94.49 -171.72 2.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.821 0.343 . . . . 0.0 110.899 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -53.0 160.49 1.5 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.609 0.719 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 142.33 47.47 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.723 2.282 . . . . 0.0 112.298 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.517 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.88 -58.9 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.563 0.697 . . . . 0.0 111.17 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 53' ' ' THR . 53.0 Cg_endo -69.79 -14.62 36.24 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.648 2.232 . . . . 0.0 112.316 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.75 -35.03 65.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.927 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -79.54 -30.38 41.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.4 mt -60.11 -26.98 66.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -72.31 -24.51 61.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -75.44 -50.03 17.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.423 ' HG3' HG23 ' A' ' 61' ' ' ILE . 19.8 ptp -58.59 -42.04 87.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.423 HG23 ' HG3' ' A' ' 60' ' ' MET . 22.1 pt -77.31 -23.61 14.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.137 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.53 -38.88 64.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -125.88 37.58 4.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.493 HG23 ' OG ' ' A' ' 89' ' ' SER . 6.9 p -56.26 -25.51 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.132 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.14 103.3 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -86.71 -37.14 18.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -71.61 -10.66 60.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 64.81 61.66 5.67 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 p -105.6 -43.69 4.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.903 0.382 . . . . 0.0 110.801 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 130.47 -29.71 3.58 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.54 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.1 t -150.45 171.04 17.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.802 0.334 . . . . 0.0 111.163 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.0 t -112.6 124.87 69.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.066 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -81.75 155.87 25.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -55.66 -39.38 70.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -66.26 -42.75 88.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.944 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -55.23 -30.1 59.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -74.48 -43.51 55.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.52 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 1.0 OUTLIER -57.27 -52.09 66.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.536 HG12 ' HB3' ' A' ' 5' ' ' TYR . 12.6 m -59.26 -19.19 15.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.6 ttp -75.78 -11.05 59.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -78.59 -56.47 4.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.564 ' CG2' ' HB2' ' A' ' 8' ' ' ALA . 2.8 p -51.82 -44.07 36.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.37 -36.61 71.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.6 m 56.66 84.83 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.2 ptt? -64.3 -16.63 62.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? 69.21 -75.49 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -150.25 177.13 10.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 61.4 170.27 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.493 ' OG ' HG23 ' A' ' 64' ' ' VAL . 0.3 OUTLIER -179.36 -35.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 -179.786 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.16 -170.3 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.917 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -159.88 119.98 0.93 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.452 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? 63.02 165.32 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.776 0.322 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.66 168.8 10.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -68.88 -49.23 60.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 29.0 tp10 -78.19 -25.53 47.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -70.29 -33.5 71.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.7 mt -53.45 -38.99 64.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.17 -26.65 66.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.801 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -92.73 -49.84 5.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.843 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.0 mp -58.94 -37.01 75.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -51.93 -56.52 13.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.954 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.33 -25.45 57.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.4 tpt -64.22 -27.58 69.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -96.4 -21.44 17.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.841 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -77.29 59.87 1.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.946 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 32.6 mttp -67.6 -17.88 64.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -74.05 -7.78 53.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 49.7 31.36 4.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 41.4 p-10 -105.29 -14.87 15.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 106.14 -23.06 29.9 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -108.43 174.15 6.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.918 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.406 ' HB ' HG13 ' A' ' 148' ' ' ILE . 15.3 mm -106.75 140.37 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.089 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -108.77 163.15 13.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.9 mt -62.22 -55.53 27.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -58.16 -21.38 46.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -81.74 -53.84 5.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.851 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.525 HD21 ' HG3' ' A' ' 137' ' ' MET . 1.7 pp -68.32 -49.02 63.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.602 ' CB ' HG21 ' A' ' 133' ' ' ILE . 8.5 ptpt -61.97 -27.36 68.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -50.89 -30.23 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.209 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 5.6 ttp -60.39 -58.87 6.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.715 ' CD2' HD13 ' A' ' 133' ' ' ILE . 0.8 OUTLIER -58.37 -22.91 55.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -64.73 -25.85 68.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -116.68 75.06 0.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.8 t -176.04 -37.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.189 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 104.02 33.38 4.05 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.535 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.97 168.93 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.925 0.393 . . . . 0.0 110.882 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 11.3 t -117.2 39.48 3.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 30.7 pt -131.09 165.64 30.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.58 160.58 30.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.103 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.673 ' O ' HG22 ' A' ' 133' ' ' ILE . 6.5 mt-10 -74.69 -37.77 62.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -77.49 -23.58 50.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -56.51 -43.03 79.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.819 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.715 HD13 ' CD2' ' A' ' 121' ' ' LEU . 1.1 tp -52.72 -28.51 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -53.48 -31.1 44.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -75.25 -30.37 60.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.39 -53.8 42.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.525 ' HG3' HD21 ' A' ' 117' ' ' LEU . 1.4 tmt? -51.99 -37.73 54.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.35 -35.13 62.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.84 -23.65 39.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -52.07 -33.1 36.6 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.531 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -51.81 156.06 1.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.838 0.352 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -162.31 -39.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -86.52 6.84 28.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 63.64 87.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -160.46 -40.2 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 109.36 16.02 11.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.423 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -154.09 165.85 34.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.822 0.344 . . . . 0.0 110.837 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.406 HG13 ' HB ' ' A' ' 112' ' ' ILE . 24.3 mm -86.07 139.84 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.175 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -132.76 -171.76 2.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -77.35 59.96 1.93 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.56 -34.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.875 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -72.63 -43.36 63.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.936 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' FTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 2.3 mt -73.92 -57.57 3.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -68.59 -11.01 59.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -43.47 -64.53 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 8.5 mmt -75.59 60.36 1.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.936 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -14.61 62.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 152.8 46.51 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.567 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 22.1 t -100.74 136.45 32.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.346 . . . . 0.0 111.073 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.99 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.0 mtt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.752 0.311 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -138.1 -179.87 6.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -79.57 -15.07 58.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.42 ' H ' HD13 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -94.89 -22.03 5.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.094 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.722 ' O ' HG23 ' A' ' 9' ' ' VAL . 9.2 m-85 -100.26 -22.31 15.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.04 -36.6 55.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.87 -26.28 61.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.074 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.549 ' HB3' HG12 ' A' ' 82' ' ' VAL . . . -75.96 -44.26 40.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 5' ' ' TYR . 66.2 t -54.86 -26.47 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -51.68 -47.78 63.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.58 -21.47 60.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.597 HD12 HE22 ' A' ' 16' ' ' GLN . 4.0 mm? -76.02 177.85 6.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.1 p -117.92 131.25 56.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -65.27 -25.69 67.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -54.95 -27.67 45.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.597 HE22 HD12 ' A' ' 12' ' ' LEU . 6.1 pt20 -62.25 -32.15 72.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.86 -24.38 66.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.423 ' HA ' ' HG2' ' A' ' 21' ' ' LYS . 7.4 t-20 -87.36 -24.34 24.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -87.73 -47.25 8.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.487 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -65.28 -11.39 40.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.864 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.423 ' HG2' ' HA ' ' A' ' 18' ' ' ASN . 0.0 OUTLIER -88.19 3.33 49.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -113.26 -45.52 3.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.95 -29.85 55.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.041 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.735 ' O ' HG22 ' A' ' 28' ' ' VAL . 66.1 t80 -51.9 -31.74 29.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.74 -42.27 99.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 26.2 mt -83.29 -32.69 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.099 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -49.73 75.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.735 HG22 ' O ' ' A' ' 24' ' ' PHE . 13.5 m -95.36 26.3 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.413 HD23 ' O ' ' A' ' 29' ' ' LEU . 8.3 tt -52.08 -29.97 23.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.972 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -94.26 -19.46 33.0 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.512 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -102.81 115.81 31.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.764 0.316 . . . . 0.0 111.044 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -93.39 -25.37 17.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.24 -14.75 61.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.881 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.32 28.47 59.89 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.503 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.13 100.56 11.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.369 . . . . 0.0 110.858 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.635 HG21 HG12 ' A' ' 28' ' ' VAL . 13.2 tt -164.28 143.52 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.161 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.3 p -93.45 168.79 10.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 20.8 m -80.17 -27.08 39.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -51.76 103.2 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.592 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -92.69 -24.93 18.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.24 -35.26 49.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.11 -38.46 34.9 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.477 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.0 tptt -64.89 -26.31 68.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.769 0.319 . . . . 0.0 110.816 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 40' ' ' GLU . 48.7 t -54.08 -49.57 60.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.105 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 17.2 mmt -55.9 -45.68 78.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.805 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -69.22 -26.3 64.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.52 -33.15 59.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.811 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.2 mt -115.74 25.4 10.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 53.96 25.96 32.62 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.479 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -64.44 -177.13 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.855 0.36 . . . . 0.0 110.857 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -52.09 160.65 1.14 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.608 0.718 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 156.51 63.1 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.745 2.296 . . . . 0.0 112.289 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.518 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.82 -58.93 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.498 0.666 . . . . 0.0 111.088 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 53' ' ' THR . 54.0 Cg_endo -69.78 -22.44 32.0 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.656 2.237 . . . . 0.0 112.326 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -59.65 -35.43 74.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -78.27 -32.57 49.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' ' 54' ' ' PRO . 78.4 mt -54.67 -27.12 37.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.462 ' HG3' HD11 ' A' ' 61' ' ' ILE . 23.2 tt0 -53.26 -28.63 28.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -64.02 -32.53 74.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -50.58 49.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.462 HD11 ' HG3' ' A' ' 58' ' ' GLN . 28.6 pt -67.65 -26.65 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.34 -32.97 58.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -143.0 63.36 1.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.1 p -113.65 -36.15 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.173 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -75.08 145.14 42.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -71.28 -25.83 62.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -70.86 -10.67 60.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.17 46.39 94.6 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.526 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.7 p -103.96 -27.36 12.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.891 0.376 . . . . 0.0 110.893 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 79.92 18.8 71.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.534 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.6 t -152.59 147.84 26.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.808 0.337 . . . . 0.0 111.168 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -120.72 128.56 76.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -83.86 -169.41 2.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.828 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -61.06 -30.6 70.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.565 ' O ' HG23 ' A' ' 79' ' ' VAL . 0.4 OUTLIER -73.7 -53.27 10.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -64.94 -33.29 75.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -56.32 -50.82 70.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.4 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 0.4 OUTLIER -62.94 -37.23 86.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.585 ' O ' HG22 ' A' ' 82' ' ' VAL . 80.8 t -57.67 -26.16 26.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -23.4 62.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 15.1 mmt -52.67 -30.62 32.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.789 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.585 HG22 ' O ' ' A' ' 79' ' ' VAL . 18.1 m -59.08 -30.23 43.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -61.38 -48.18 82.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.11 -170.27 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -16.95 64.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.1 179.85 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -119.26 -175.61 2.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -60.77 149.76 34.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.941 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 26.2 p -173.92 53.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.22 162.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 99.17 145.51 18.6 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.47 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -102.35 46.66 0.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.771 0.32 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.6 m -113.83 -169.95 1.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.955 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -56.77 -24.24 48.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -51.74 -37.42 51.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.811 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.533 ' O ' HD13 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -76.58 -33.32 58.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.61 HD23 ' HA ' ' A' ' 154' ' ' LEU . 3.7 mp -70.43 -25.85 63.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 m -77.77 -25.97 49.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -94.44 -40.94 9.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.533 HD13 ' O ' ' A' ' 96' ' ' GLU . 6.1 mp -56.08 -32.08 63.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -57.96 -56.59 20.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.43 -24.63 59.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 3.4 tmm? -69.0 -53.0 22.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -65.07 -15.19 62.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -74.84 71.35 2.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.8 mttp -71.9 -26.11 62.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -74.0 -7.69 53.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 50.64 29.57 4.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 41.2 p-10 -100.92 -0.43 36.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.07 -23.53 29.0 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.518 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -109.22 175.88 5.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.851 0.358 . . . . 0.0 110.921 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.559 ' HB ' HD12 ' A' ' 148' ' ' ILE . 24.1 mm -103.19 139.75 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.103 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -109.76 165.6 11.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.4 mt -60.99 -54.81 40.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.405 ' HA ' ' HG2' ' A' ' 118' ' ' LYS . 76.9 m-20 -57.66 -20.87 36.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -81.4 -54.55 5.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.513 HD23 HG22 ' A' ' 112' ' ' ILE . 1.0 OUTLIER -70.94 -49.29 47.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.531 ' HA ' HD23 ' A' ' 121' ' ' LEU . 7.9 ptpt -59.0 -27.58 65.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -50.73 -29.8 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.083 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.92 -48.92 27.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.691 ' O ' HG22 ' A' ' 124' ' ' THR . 0.7 OUTLIER -68.92 -23.38 64.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.895 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -25.0 66.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -109.45 66.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.053 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.691 HG22 ' O ' ' A' ' 121' ' ' LEU . 14.6 t -165.88 28.8 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.151 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 93.07 -15.12 63.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.466 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 52.12 87.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.914 0.388 . . . . 0.0 110.926 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 16.8 p -91.32 -20.49 21.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.141 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.638 HD12 ' HB3' ' A' ' 132' ' ' ASP . 37.5 pt -113.07 169.94 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.5 p -105.44 173.06 6.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -57.24 -26.01 60.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -66.26 -25.74 67.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.638 ' HB3' HD12 ' A' ' 128' ' ' ILE . 13.2 t0 -79.06 -38.64 35.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.831 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.409 HD13 ' O ' ' A' ' 133' ' ' ILE . 0.4 OUTLIER -52.67 -28.54 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.37 -42.17 98.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.87 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -77.16 -30.11 54.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.927 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.29 -59.22 4.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.937 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -40.01 92.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.814 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -53.34 -32.68 50.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.908 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -83.93 -24.44 30.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -70.86 -59.58 5.05 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.49 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -77.71 90.08 3.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.858 0.361 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 7.6 tptp -114.58 16.98 17.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -99.01 21.6 11.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.0 t30 51.56 30.46 6.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -105.32 -26.11 12.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 87.55 4.21 80.26 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -153.98 156.84 38.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.788 0.327 . . . . 0.0 110.816 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.559 HD12 ' HB ' ' A' ' 112' ' ' ILE . 2.5 mt -85.44 109.0 17.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.144 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -106.43 -168.53 1.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.71 61.83 1.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -174.57 -36.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.76 -36.45 31.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' FTR . . . . . 0.491 ' F ' HG21 ' A' ' 112' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.61 ' HA ' HD23 ' A' ' 97' ' ' LEU . 10.5 mt -72.65 -52.21 16.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.907 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -71.52 -10.49 59.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.406 ' CE2' HD13 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -42.47 -65.43 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 2.6 ptp -109.83 63.37 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.95 -165.41 1.22 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -71.64 -114.82 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.476 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 26.5 m -78.4 136.48 23.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.793 0.33 . . . . 0.0 111.104 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.812 0.339 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -124.41 38.05 4.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -59.9 -26.84 66.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -52.85 -29.91 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.696 ' O ' HG23 ' A' ' 9' ' ' VAL . 17.7 m-85 -95.48 -54.14 3.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -51.88 -29.64 20.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.842 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.97 -53.33 55.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.102 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.643 ' HB2' HG12 ' A' ' 82' ' ' VAL . . . -71.04 -37.51 72.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 5' ' ' TYR . 91.1 t -54.06 -27.37 16.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.146 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -61.67 -18.28 58.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -122.38 -0.28 9.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.545 HD23 ' HA ' ' A' ' 9' ' ' VAL . 0.5 OUTLIER -51.0 114.47 1.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.926 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.7 p -146.58 163.35 36.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.091 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.08 -22.88 52.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -68.84 -42.32 77.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -75.64 -31.64 59.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -68.72 -42.79 77.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -82.03 -22.91 36.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -65.3 -52.16 55.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.491 ' C ' ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -90.99 17.43 7.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.24 -26.17 39.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.97 -39.81 69.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.15 -49.53 23.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.089 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.495 ' O ' HG22 ' A' ' 28' ' ' VAL . 1.2 m-85 -52.24 -33.76 42.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.68 -38.03 69.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 36.0 mt -80.45 -29.29 12.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.39 -42.5 78.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.83 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.608 HG11 HG21 ' A' ' 36' ' ' ILE . 32.7 m -99.62 25.57 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.5 tt -52.59 -29.82 27.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.52 -27.29 36.19 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.524 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.66 88.74 5.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.752 0.311 . . . . 0.0 111.109 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.28 -26.9 65.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -73.86 -14.95 61.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.42 28.31 55.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.541 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.9 t -97.29 108.48 21.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 110.849 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.608 HG21 HG11 ' A' ' 28' ' ' VAL . 15.1 tt -161.59 141.99 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.099 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.53 -74.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.72 -27.14 20.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.151 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -51.9 -31.78 29.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -57.57 -35.14 69.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.533 ' O ' HG12 ' A' ' 44' ' ' VAL . 18.5 mt -70.07 -61.96 1.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.86 -25.35 36.94 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.457 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.9 tptt -57.23 -26.36 60.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.821 0.343 . . . . 0.0 110.927 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.533 HG12 ' O ' ' A' ' 41' ' ' LEU . 10.8 p -54.46 -30.39 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -75.6 -36.19 60.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -69.93 -32.62 71.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 9.7 ttm -56.31 -29.88 61.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.1 mt -82.65 -19.04 39.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.29 46.51 49.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.486 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -114.45 -171.35 1.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.802 0.334 . . . . 0.0 110.899 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -53.29 160.68 1.63 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.573 0.702 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 171.24 14.85 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.722 2.282 . . . . 0.0 112.303 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.515 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.91 -58.98 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.583 0.706 . . . . 0.0 111.09 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 53' ' ' THR . 53.9 Cg_endo -69.73 -10.79 29.44 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.649 2.233 . . . . 0.0 112.404 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -65.62 -31.04 71.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -69.14 -50.12 50.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.32 -27.09 61.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -52.46 -35.43 52.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.96 -30.83 61.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.59 -47.06 28.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.567 ' O ' HG12 ' A' ' 64' ' ' VAL . 45.4 pt -58.54 -24.08 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.097 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.01 -30.2 24.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -119.61 57.71 0.9 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.567 HG12 ' O ' ' A' ' 61' ' ' ILE . 10.6 p -116.09 -23.17 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -51.84 103.49 0.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -63.5 -23.05 67.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -70.26 -10.83 60.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 58.85 19.74 45.17 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.48 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.9 p -93.23 -26.3 17.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.861 0.363 . . . . 0.0 110.84 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.34 19.62 64.48 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.5 t -149.28 142.17 24.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.85 0.357 . . . . 0.0 111.183 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.4 p -91.34 123.84 43.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.111 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.17 -177.36 5.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -58.26 -68.56 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.556 ' O ' HG23 ' A' ' 79' ' ' VAL . 2.0 p-10 -65.89 -32.12 73.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -56.11 -33.05 64.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.97 -38.22 81.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -78.94 -24.23 44.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.592 ' O ' HG22 ' A' ' 82' ' ' VAL . 21.6 t -79.84 -21.04 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -13.03 61.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -75.84 -24.1 55.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.823 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.643 HG12 ' HB2' ' A' ' 8' ' ' ALA . 5.3 m -59.66 -28.08 39.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.147 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -71.15 -47.42 57.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.94 -30.35 24.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -109.74 56.43 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.829 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -179.48 -34.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -110.43 150.3 29.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -179.12 98.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.71 162.49 3.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -151.61 -174.64 4.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 141.58 -176.55 21.8 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.503 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.61 -173.58 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.774 0.321 . . . . 0.0 110.945 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 m -120.29 95.45 4.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -76.9 -20.62 56.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -51.42 -47.02 63.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.434 ' O ' HD13 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -68.38 -33.06 73.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.56 HD23 HD22 ' A' ' 154' ' ' LEU . 1.9 mp -67.44 -25.85 66.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 62.1 m -76.89 -34.71 57.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -86.21 -32.39 21.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.434 HD13 ' O ' ' A' ' 96' ' ' GLU . 2.4 mp -56.39 -37.19 69.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -56.59 -56.63 18.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.62 -28.21 66.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 8.7 ttt -72.41 -28.11 62.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -96.51 -25.71 15.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -76.2 67.25 2.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -79.65 -19.25 49.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -74.09 -7.82 53.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 49.97 32.04 5.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.085 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -102.86 -18.57 15.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.816 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 109.68 -34.27 5.57 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -109.3 169.65 8.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.909 0.385 . . . . 0.0 110.89 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.585 ' HB ' HD12 ' A' ' 148' ' ' ILE . 12.6 mm -95.73 134.89 31.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.3 168.13 9.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.576 HD23 ' HG3' ' A' ' 137' ' ' MET . 16.2 mt -55.14 -55.44 31.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.452 ' O ' HG13 ' A' ' 119' ' ' ILE . 2.2 m-20 -55.76 -20.22 14.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -87.87 -54.77 4.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.739 HD12 HD11 ' A' ' 133' ' ' ILE . 0.8 OUTLIER -67.01 -45.02 78.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.879 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.2 ptpt -52.3 -24.08 6.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 115' ' ' ASP . 70.5 mt -49.15 -35.75 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.121 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 4.0 ppp? -53.4 -39.06 63.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.36 -21.69 33.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -59.25 -27.05 65.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -84.72 -48.04 9.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 41.4 p -51.8 -60.82 2.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.136 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 87.92 26.8 28.09 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.54 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -57.81 -179.51 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.925 0.393 . . . . 0.0 110.92 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.8 t -105.27 67.72 0.79 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -124.74 176.37 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 70.4 p -97.35 160.61 14.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.219 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.556 ' O ' HG22 ' A' ' 133' ' ' ILE . 0.3 OUTLIER -70.71 -24.7 62.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.875 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.03 -19.3 58.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.939 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.43 -29.84 70.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.739 HD11 HD12 ' A' ' 117' ' ' LEU . 11.2 tp -51.63 -29.64 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -54.19 -27.04 31.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -73.92 -34.13 64.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.462 HD12 HD12 ' A' ' 133' ' ' ILE . 1.5 mt -64.59 -59.01 4.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.614 ' HG3' HD21 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -54.52 -36.85 64.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.809 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 18.5 tptt -51.39 -41.21 60.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.949 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -83.87 -21.39 31.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.8 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -64.14 -61.07 6.4 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -53.76 173.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.61 -40.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 62.8 m-20 -67.36 -79.68 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 176.03 -33.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -50.8 -30.56 14.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 91.23 8.62 64.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -112.39 143.79 42.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.311 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.585 HD12 ' HB ' ' A' ' 112' ' ' ILE . 4.5 mt -85.13 129.63 37.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.087 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -117.39 -166.71 1.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -70.06 -29.2 66.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.26 -30.53 17.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.37 -38.36 30.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' FTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.56 HD22 HD23 ' A' ' 97' ' ' LEU . 1.5 mt -75.78 -43.36 46.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -69.8 -10.99 60.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -44.51 -65.53 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -78.44 -30.84 47.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.856 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 1.1 tptp 63.25 105.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -55.03 -43.64 83.09 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.506 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 7.1 p -82.61 138.88 18.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.795 0.331 . . . . 0.0 111.101 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.846 0.355 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.42 ' HB2' HG22 ' A' ' 4' ' ' ILE . 4.4 m-20 63.71 159.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -73.17 -19.6 61.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.621 HG23 ' CD1' ' A' ' 5' ' ' TYR . 4.6 tp -68.41 -26.19 33.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.738 ' O ' HG23 ' A' ' 9' ' ' VAL . 2.7 m-85 -114.25 -24.83 8.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -72.3 -25.69 61.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.73 -37.56 67.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.89 -33.23 65.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 5' ' ' TYR . 96.1 t -54.67 -26.41 16.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -65.8 -43.41 88.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -81.76 -25.23 35.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.459 ' CD1' HD13 ' A' ' 78' ' ' LEU . 1.6 mm? -55.45 133.5 50.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.558 HG22 ' OE1' ' A' ' 16' ' ' GLN . 2.4 t -146.53 142.11 27.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.166 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -55.8 -25.61 42.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -58.46 -58.29 9.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.558 ' OE1' HG22 ' A' ' 13' ' ' THR . 6.9 pt20 -75.62 -32.02 60.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.4 ttmt -60.83 -36.58 79.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -81.9 -22.92 36.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -65.23 -52.33 55.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.544 ' CZ ' HD12 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -91.16 17.56 8.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.899 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.83 -27.61 40.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -102.83 -28.67 11.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.81 -26.0 53.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.086 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.543 ' O ' HG22 ' A' ' 28' ' ' VAL . 24.5 t80 -64.55 -47.21 79.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.67 -30.4 71.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.4 mt -81.04 -26.51 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.075 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.4 -38.6 49.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 24' ' ' PHE . 27.2 m -99.77 25.14 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.4 tp -54.47 -29.26 49.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -77.5 -46.55 9.79 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.526 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.56 131.61 46.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -91.91 -34.16 14.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.18 -14.83 58.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.11 25.09 62.51 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.448 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.471 ' HA ' HG12 ' A' ' 72' ' ' VAL . 1.7 p -124.64 136.76 54.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.854 0.359 . . . . 0.0 110.812 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.9 pt -149.89 152.22 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.132 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.528 ' HB3' HD13 ' A' ' 61' ' ' ILE . 1.4 p -109.93 -23.25 11.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.3 -49.42 61.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.15 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.6 tttm 65.95 -126.41 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -98.12 -51.17 4.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.769 ' C ' HD22 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -70.77 -9.45 57.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.422 ' N ' HD13 ' A' ' 41' ' ' LEU . . . -76.62 -35.5 40.76 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.441 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -76.65 -47.22 22.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.348 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.2 p -53.9 -31.17 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.139 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 10.4 mmt -75.23 -39.98 59.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 -74.76 -25.77 59.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.81 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.652 ' C ' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -53.96 -55.6 25.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.853 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.652 HD13 ' C ' ' A' ' 47' ' ' MET . 0.2 OUTLIER -113.8 16.61 18.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 53.42 41.46 63.34 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.455 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -57.67 -179.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.896 0.379 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -51.55 161.02 0.89 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.57 0.7 . . . . 0.0 110.926 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 150.87 68.32 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.661 2.24 . . . . 0.0 112.371 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.5 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.95 -58.78 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.565 0.698 . . . . 0.0 111.203 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 53' ' ' THR . 53.2 Cg_endo -69.85 -16.09 37.04 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.732 2.288 . . . . 0.0 112.283 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -61.46 -30.92 70.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.938 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -78.88 -30.07 44.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.461 HD13 ' O ' ' A' ' 37' ' ' SER . 96.7 mt -52.31 -34.68 48.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -60.03 -32.79 71.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.51 -27.41 58.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.682 ' O ' HG13 ' A' ' 64' ' ' VAL . 2.4 ttm -74.79 -47.88 28.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.528 HD13 ' HB3' ' A' ' 37' ' ' SER . 36.4 pt -58.54 -23.34 22.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.142 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -52.1 -30.98 28.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -146.91 78.82 1.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.682 HG13 ' O ' ' A' ' 60' ' ' MET . 7.0 m -130.83 -39.68 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.76 104.14 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -88.9 -30.26 19.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -73.91 -10.71 59.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.79 60.21 3.75 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.475 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 89.6 p -118.69 -36.34 3.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 110.882 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.14 -20.75 44.09 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.48 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.8 t -131.54 150.78 52.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.831 0.348 . . . . 0.0 111.146 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.471 HG12 ' HA ' ' A' ' 35' ' ' SER . 6.4 p -85.04 124.01 39.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.062 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.03 179.61 7.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -59.3 -70.35 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -57.41 -27.15 62.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -72.34 -30.69 64.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -64.65 -31.36 72.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.544 HD12 ' CZ ' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -77.49 -26.45 51.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 66.9 t -76.23 -24.93 16.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 36.6 mmm -52.9 -29.42 28.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.816 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.21 -68.23 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 8.5 p -63.85 -30.74 50.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.091 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.01 -48.06 70.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.5 m -86.09 -74.4 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 52.21 29.9 7.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -179.01 174.2 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -150.56 118.88 6.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -167.35 117.67 0.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.43 -34.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 63.15 166.11 0.12 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -157.89 -96.33 0.12 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.445 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -76.58 -175.41 3.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.78 0.324 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.63 95.96 5.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.815 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -76.9 -22.49 53.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -51.93 -30.05 22.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -52.27 -33.45 41.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.572 HD12 ' HD1' ' A' ' 153' ' ' FTR . 3.9 mm? -72.83 -33.48 66.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.0 p -61.93 -44.9 95.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -60.42 -51.68 68.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.6 mp -59.31 -37.95 79.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -60.93 -56.51 20.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.7 ptt180 -70.62 -16.49 62.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.26 -36.66 24.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.814 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -87.03 -16.65 35.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -77.45 59.64 1.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.94 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.96 -11.17 60.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -74.32 -7.67 53.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 50.45 30.75 4.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 45.7 p-10 -115.0 -14.77 11.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 102.81 -20.81 42.57 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.437 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -109.01 173.77 6.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.851 0.358 . . . . 0.0 110.934 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.509 HG21 HD21 ' A' ' 117' ' ' LEU . 10.7 mm -101.65 138.32 26.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.65 153.95 23.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.834 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.7 mt -47.55 -45.62 27.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -51.01 -49.84 59.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -62.83 -25.12 68.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.825 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.509 HD21 HG21 ' A' ' 112' ' ' ILE . 48.5 mt -80.91 -50.65 9.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.76 -46.08 76.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 50.2 mt -51.28 -30.29 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.079 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 16.3 ttp -62.17 -58.93 5.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.597 HD13 ' HB2' ' A' ' 126' ' ' GLU . 2.4 pp -72.77 -22.16 60.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -61.43 -25.59 67.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -51.82 -31.37 27.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.556 HG23 ' H ' ' A' ' 126' ' ' GLU . 2.0 t -119.55 -29.84 4.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 106.28 -15.82 42.48 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.519 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.597 ' HB2' HD13 ' A' ' 121' ' ' LEU . 2.6 tt0 50.97 -169.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.937 0.398 . . . . 0.0 110.878 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 10.9 t -123.78 28.2 6.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.18 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.655 HD12 ' HB3' ' A' ' 132' ' ' ASP . 40.9 pt -130.59 177.77 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 9.3 p -93.68 177.8 5.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.193 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -74.72 -29.39 61.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -59.98 -20.33 57.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.655 ' HB3' HD12 ' A' ' 128' ' ' ILE . 20.0 t0 -78.76 -40.36 33.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.825 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -54.14 -27.38 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -63.43 -26.6 68.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.96 -29.58 55.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.934 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.503 HD23 ' CE1' ' A' ' 156' ' ' PHE . 0.2 OUTLIER -51.28 -59.17 4.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.975 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -51.72 -49.45 62.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -62.76 -23.45 67.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.53 -58.24 4.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -73.85 -34.59 55.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.526 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -71.39 94.9 1.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.917 0.389 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.89 -20.39 14.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -69.14 -11.53 60.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 64.31 25.64 13.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 10.7 p30 -105.61 10.83 32.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 55.18 30.25 54.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.423 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -154.12 131.81 11.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.771 0.32 . . . . 0.0 110.845 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.438 HG23 ' HB2' ' A' ' 152' ' ' GLU . 83.3 mt -103.09 100.12 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -95.88 -160.64 0.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.15 62.27 0.9 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -165.86 -41.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.83 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.438 ' HB2' HG23 ' A' ' 148' ' ' ILE . 16.2 mp0 -81.43 -29.98 33.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' FTR . . . . . 0.572 ' HD1' HD12 ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 10.9 mt -71.79 -49.12 41.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.61 -9.99 59.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.503 ' CE1' HD23 ' A' ' 136' ' ' LEU . 0.1 OUTLIER -42.32 -65.56 0.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 4.0 ptp -124.13 49.05 1.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.51 115.92 17.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 86.76 20.71 53.16 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.469 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 24.2 t -107.69 147.65 12.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.83 0.348 . . . . 0.0 111.112 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 ttm . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.742 0.306 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -114.81 54.18 0.79 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -75.51 -18.75 59.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.43 ' H ' HD13 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -93.75 -13.89 8.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -108.17 -28.37 9.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -77.19 -34.34 56.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.03 -33.57 74.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.11 -57.51 3.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.0 p -59.89 -26.64 36.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.078 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -52.45 -37.09 56.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -75.14 -29.27 60.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.64 150.98 42.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.535 HG23 ' HG2' ' A' ' 16' ' ' GLN . 9.4 t -85.43 137.97 32.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.078 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -71.89 -24.29 61.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -55.01 -50.92 67.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.535 ' HG2' HG23 ' A' ' 13' ' ' THR . 18.6 pt20 -75.55 -32.02 60.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -58.04 -43.03 86.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.84 -22.73 39.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.72 -52.3 57.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.508 ' C ' ' CD1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -92.6 19.52 7.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.67 -2.8 44.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.924 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -116.49 -32.29 5.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.48 -28.62 52.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -51.75 -35.24 42.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.05 -42.84 99.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.663 ' O ' HD22 ' A' ' 29' ' ' LEU . 78.1 mt -70.2 -21.34 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.6 -44.58 67.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.793 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.554 ' HB ' ' HB ' ' A' ' 36' ' ' ILE . 2.1 t -91.54 15.67 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.663 HD22 ' O ' ' A' ' 26' ' ' ILE . 1.4 pt? -53.07 -32.08 45.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.623 ' H ' HD23 ' A' ' 29' ' ' LEU . . . -143.16 36.13 1.61 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.445 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.447 ' HB2' HG13 ' A' ' 28' ' ' VAL . . . -60.11 -168.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.747 0.308 . . . . 0.0 111.088 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -52.48 -46.81 66.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.841 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.39 -19.41 12.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 56.88 33.09 62.97 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.827 ' HB3' HG12 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -51.14 -25.62 5.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 110.877 -179.722 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.554 ' HB ' ' HB ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -58.82 167.56 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.65 ' HB3' HG21 ' A' ' 61' ' ' ILE . 8.2 p -46.08 159.83 0.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.6 m -88.7 -26.25 21.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.457 ' CD ' HD22 ' A' ' 57' ' ' LEU . 3.8 mptt -50.61 101.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.03 -25.27 17.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.41 -22.89 34.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.947 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.24 -24.48 68.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.441 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.467 ' HB2' HG23 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -56.15 -50.95 69.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.808 0.337 . . . . 0.0 110.912 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.408 HG22 ' HG ' ' A' ' 48' ' ' LEU . 10.5 p -72.57 -29.98 32.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.7 mmt -55.63 -48.85 74.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.894 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.21 -46.47 28.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.31 -24.79 57.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.408 ' HG ' HG22 ' A' ' 44' ' ' VAL . 15.8 mt -83.68 -19.11 35.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.78 44.64 47.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.507 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -106.45 179.03 4.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.816 0.341 . . . . 0.0 110.908 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -56.16 160.59 4.63 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.636 0.731 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 164.7 33.56 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.824 2.349 . . . . 0.0 112.304 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.515 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.0 OUTLIER 178.86 -58.88 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.564 0.697 . . . . 0.0 111.114 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 53' ' ' THR . 53.2 Cg_endo -69.84 -10.17 27.85 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.694 2.263 . . . . 0.0 112.318 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -55.59 -32.75 63.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -65.19 -30.45 71.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.457 HD22 ' CD ' ' A' ' 39' ' ' LYS . 8.9 mt -57.71 -27.06 62.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.69 -27.88 63.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.949 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -75.13 -44.45 46.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 30.5 mtt -61.78 -41.76 98.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.701 ' O ' HG22 ' A' ' 64' ' ' VAL . 42.4 pt -76.44 -23.13 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -79.72 -7.62 58.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -114.51 32.57 5.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.701 HG22 ' O ' ' A' ' 61' ' ' ILE . 14.1 m -119.2 -29.53 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.087 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.514 ' HB2' HG22 ' A' ' 71' ' ' THR . 13.4 t0 -102.06 78.33 1.77 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -62.43 -17.24 58.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -103.53 -4.83 23.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 50.94 42.36 47.04 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.511 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -149.53 -42.04 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.934 0.397 . . . . 0.0 110.873 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -46.06 -49.13 14.2 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.464 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.514 HG22 ' HB2' ' A' ' 65' ' ' ASP . 6.9 t -111.67 176.01 5.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.745 0.307 . . . . 0.0 111.174 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.827 HG12 ' HB3' ' A' ' 35' ' ' SER . 3.1 p -101.18 102.37 13.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -97.8 -179.08 4.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -56.47 -33.69 66.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.811 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.463 ' O ' HG23 ' A' ' 79' ' ' VAL . 0.5 OUTLIER -74.25 -53.79 9.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -60.98 -29.97 69.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -73.7 -54.21 8.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.87 -48.09 78.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.687 ' O ' HG22 ' A' ' 82' ' ' VAL . 70.4 t -59.12 -24.72 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 6.5 mmt -84.22 -7.45 59.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.81 -8.33 54.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.687 HG22 ' O ' ' A' ' 79' ' ' VAL . 10.6 m -83.79 -30.19 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.3 -33.63 69.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.31 -175.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.75 39.38 0.48 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.48 68.09 4.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -52.18 165.62 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.19 -169.87 3.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 30.6 t -164.11 164.26 22.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.24 164.64 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -141.74 27.42 2.34 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.493 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -95.96 129.77 43.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.785 0.326 . . . . 0.0 110.943 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -119.13 95.76 4.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -75.58 -23.04 56.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -53.95 -27.57 31.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.84 -33.26 35.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.7 mt -52.01 -30.12 23.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 p -67.29 -36.72 82.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.77 -55.85 11.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.941 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -58.66 -33.01 69.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -51.89 -57.35 9.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -75.89 -35.71 59.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -47.9 69.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -72.28 -11.67 60.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -76.98 60.9 1.88 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.751 ' HE3' HD13 ' A' ' 119' ' ' ILE . 44.2 mttm -54.53 -44.72 73.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -76.86 -8.83 58.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 45.62 60.18 3.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.076 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -114.99 3.33 14.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 95.78 -32.95 5.86 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.511 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -108.94 176.24 5.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.841 0.353 . . . . 0.0 110.97 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.597 ' HB ' HD12 ' A' ' 148' ' ' ILE . 11.6 mm -112.24 130.34 66.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.099 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.58 147.01 33.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.96 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.737 HD12 ' N ' ' A' ' 115' ' ' ASP . 1.5 pp -49.75 -26.2 3.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.737 ' N ' HD12 ' A' ' 114' ' ' LEU . 0.6 OUTLIER -58.29 -42.11 85.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.826 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.831 ' HA ' HD12 ' A' ' 119' ' ' ILE . 2.7 mt-10 -82.57 -26.39 32.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.646 HD12 ' HA ' ' A' ' 114' ' ' LEU . 31.6 mt -72.34 -49.16 36.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -56.12 -38.69 71.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.831 HD12 ' HA ' ' A' ' 116' ' ' GLU . 58.2 mt -51.78 -29.83 11.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.28 -59.73 2.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.2 pp -59.42 -23.9 63.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -78.17 -16.35 57.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.73 -15.85 61.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.054 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.7 t -110.02 -40.94 4.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.076 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 57.28 33.99 66.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.09 -75.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.921 0.391 . . . . 0.0 110.864 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.7 t 178.33 82.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.149 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.1 pp -131.4 167.75 25.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 16.5 p -106.78 160.17 15.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -38.26 78.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -61.94 -18.86 61.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -70.31 -39.75 74.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.428 HD12 ' HB2' ' A' ' 114' ' ' LEU . 0.4 OUTLIER -55.84 -27.85 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -25.62 67.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.19 -29.3 54.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.569 HD22 ' HB3' ' A' ' 117' ' ' LEU . 1.5 mt -55.76 -59.22 5.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.933 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 2.7 tpt -71.43 -50.14 34.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 25.6 tptt -51.0 -63.11 1.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -67.36 -24.04 65.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.912 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -51.5 -53.92 26.55 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.519 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -54.7 168.77 0.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.887 0.375 . . . . 0.0 110.827 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -157.65 -39.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -64.77 -78.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 176.52 -32.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.28 -30.92 12.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 91.56 17.38 49.45 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.578 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -134.88 154.95 51.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.797 0.332 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.597 HD12 ' HB ' ' A' ' 112' ' ' ILE . 2.0 mt -85.66 100.5 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -101.34 -166.28 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.778 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -75.75 61.5 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -175.36 -36.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -76.32 -38.6 55.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' FTR . . . . . 0.538 ' F ' HG21 ' A' ' 112' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 2.0 mt -76.09 -51.91 11.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.998 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -70.05 -10.76 59.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.496 ' CE2' HD13 ' A' ' 148' ' ' ILE . 0.1 OUTLIER -43.72 -65.73 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 4.2 ptp -122.84 55.85 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.797 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -15.03 61.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -80.89 -68.18 1.49 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.468 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 34.9 t -105.92 128.48 60.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 111.152 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 ttp . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.807 0.337 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -52.89 165.84 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.406 ' O ' ' CB ' ' A' ' 4' ' ' ILE . 0.1 OUTLIER -63.99 -57.08 10.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.708 HG22 ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER 78.02 -40.19 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.137 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.708 ' CD1' HG22 ' A' ' 4' ' ' ILE . 7.1 m-85 -69.6 -30.41 68.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.94 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -77.98 -24.32 48.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.824 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.29 -38.78 65.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.09 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.16 -52.61 22.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.065 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.6 p -54.4 -26.71 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.082 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.2 tt0 -66.16 -35.31 80.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -105.63 24.68 11.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.937 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.571 HD21 ' HD3' ' A' ' 17' ' ' LYS . 5.1 tp -122.0 116.05 23.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.4 HG23 ' H ' ' A' ' 16' ' ' GLN . 8.5 t -74.38 131.05 40.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.132 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -57.83 -23.72 54.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -54.96 -55.68 28.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.4 ' H ' HG23 ' A' ' 13' ' ' THR . 3.7 pt20 -74.84 -32.56 61.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.571 ' HD3' HD21 ' A' ' 12' ' ' LEU . 14.7 ttpt -53.38 -37.35 62.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -81.12 -22.82 38.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.927 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -52.99 52.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.503 ' C ' ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -90.88 17.9 7.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.96 -27.36 39.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.05 -27.33 68.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.45 -25.01 59.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -80.83 -40.82 24.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.76 -28.22 60.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.3 mt -69.27 -31.8 51.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.44 -28.32 46.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.571 ' HB ' ' HB3' ' A' ' 31' ' ' ALA . 20.7 m -111.99 25.69 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.5 tp -54.79 -29.32 54.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -96.34 -21.65 21.72 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.476 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.571 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . . . -78.99 125.77 29.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.746 0.308 . . . . 0.0 111.08 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -87.38 -31.1 20.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.04 -14.88 37.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.64 25.39 75.21 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.501 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.4 t -100.62 105.39 16.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.818 0.342 . . . . 0.0 110.866 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.645 ' O ' HG11 ' A' ' 72' ' ' VAL . 1.1 pt -130.88 107.17 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.218 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.58 120.08 6.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.1 t -53.53 -31.26 45.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -53.11 106.39 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -52.06 -30.56 26.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.4 mt -59.59 -49.15 78.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.962 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.28 -26.67 63.32 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.466 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -50.4 57.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.815 0.341 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.2 p -64.56 -30.09 49.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.165 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 8.6 mmt -60.21 -46.52 89.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -55.77 -42.52 75.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 9.2 mtt -57.32 -26.05 60.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.95 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 mt -95.8 28.29 3.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.71 19.56 63.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 59.02 96.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.814 0.34 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -103.36 160.62 25.58 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.662 0.744 . . . . 0.0 110.856 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 115.16 3.96 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.613 2.209 . . . . 0.0 112.448 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.517 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.91 -58.86 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.542 0.687 . . . . 0.0 111.171 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 53' ' ' THR . 53.4 Cg_endo -69.72 -16.82 37.92 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.742 2.295 . . . . 0.0 112.38 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -56.31 -31.33 63.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -76.42 -34.23 58.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 82.6 mt -56.01 -28.81 58.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.973 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -54.07 -35.01 61.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.94 -31.32 63.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 7.4 ttt -74.22 -48.27 29.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 36.8 pt -61.45 -25.83 37.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.75 -31.15 36.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -109.87 32.91 4.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 72.5 t -130.1 -40.17 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -54.73 114.34 1.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -66.93 -31.74 72.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -84.97 -10.73 56.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 56.52 57.56 18.81 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 98.2 p -110.04 -41.93 4.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.893 0.378 . . . . 0.0 110.841 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 102.85 -19.71 46.11 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.516 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.9 t -125.94 151.55 46.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.853 0.359 . . . . 0.0 111.097 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.645 HG11 ' O ' ' A' ' 36' ' ' ILE . 6.4 p -90.36 124.49 43.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.183 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -87.2 -176.96 5.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.798 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -74.9 -35.08 62.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.45 -27.23 63.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -62.85 -39.67 95.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -65.13 -43.32 92.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.786 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.98 -29.84 31.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.7 t -57.22 -23.31 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -31.59 30.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -61.08 -64.88 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.6 p -60.4 -30.51 46.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.6 mtt-85 -51.86 -48.07 64.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 69.4 -75.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.8 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 54.9 mtp 63.47 73.44 0.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -179.29 -34.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.54 -173.2 2.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -143.56 -68.13 0.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.2 163.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.95 -172.38 4.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -170.96 -167.42 31.27 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.7 pttp -118.91 40.46 3.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.761 0.315 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -120.15 -169.84 1.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -55.86 -25.6 43.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.827 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -52.49 -47.93 66.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -55.14 -33.78 63.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.413 HD22 HD23 ' A' ' 154' ' ' LEU . 0.2 OUTLIER -69.02 -27.68 65.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.58 -26.97 68.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -61.04 -64.16 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.494 HD12 ' HE2' ' A' ' 104' ' ' PHE . 4.3 mm? -56.41 -32.97 65.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.47 -55.7 28.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.805 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -25.76 66.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -26.71 56.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.494 ' HE2' HD12 ' A' ' 100' ' ' LEU . 8.5 m-85 -96.29 -24.95 15.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -75.62 69.04 2.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -77.47 -23.3 50.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -74.24 -7.99 54.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 49.05 32.4 3.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.03 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 18.0 p30 -108.87 -1.05 19.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 91.45 -19.58 46.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.534 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -108.61 170.87 7.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.943 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.506 HG21 HD21 ' A' ' 117' ' ' LEU . 14.3 mm -105.77 138.79 29.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.146 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -110.42 150.04 29.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.691 ' HA ' HD12 ' A' ' 117' ' ' LEU . 6.1 mt -49.94 -49.05 51.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.49 -30.06 18.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -81.02 -30.49 34.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.691 HD12 ' HA ' ' A' ' 114' ' ' LEU . 11.7 mt -75.99 -49.04 18.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.96 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.578 ' NZ ' HG21 ' A' ' 133' ' ' ILE . 0.2 OUTLIER -65.77 -28.32 68.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.812 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 1.5 mt -56.17 -31.94 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.073 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 13.7 tpt -69.93 -61.14 1.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.594 HD13 ' CG1' ' A' ' 128' ' ' ILE . 1.4 pp -60.14 -26.86 66.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.59 -26.19 66.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.99 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -138.33 85.84 2.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 3.9 t -159.64 -40.94 0.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 103.01 33.31 4.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -97.54 178.69 5.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 0.0 110.92 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.0 t -115.62 73.2 0.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.05 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.594 ' CG1' HD13 ' A' ' 121' ' ' LEU . 0.2 OUTLIER -131.13 167.12 26.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 179.818 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 18.5 p -100.92 160.74 14.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.102 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.546 ' O ' HG22 ' A' ' 133' ' ' ILE . 3.5 mt-10 -73.7 -29.51 62.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.953 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.16 -27.99 53.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.83 -34.46 54.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.619 HD11 ' HB2' ' A' ' 117' ' ' LEU . 11.1 tp -52.21 -29.55 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.44 -50.43 69.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -72.14 -29.44 64.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.462 ' C ' HD13 ' A' ' 136' ' ' LEU . 1.9 tm? -58.83 -59.08 6.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.482 ' SD ' HD11 ' A' ' 117' ' ' LEU . 15.4 tpt -50.84 -50.89 55.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp -64.09 -23.82 67.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.2 -6.61 50.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.87 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -108.77 -26.34 5.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.526 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -60.32 107.69 0.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.853 0.359 . . . . 0.0 110.809 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.31 -28.6 5.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 30.6 t30 -74.65 -7.18 52.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 64.84 42.65 4.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 28.1 p30 -117.49 -14.21 10.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 86.29 15.75 63.82 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.457 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -154.39 163.65 39.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.774 0.321 . . . . 0.0 110.897 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 23.7 mm -85.94 139.65 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -129.01 -175.04 3.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.8 61.23 1.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 179.99 -34.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.806 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -74.18 -41.72 61.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' FTR . . . . . 0.4 ' F ' ' CD2' ' A' ' 117' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.413 HD23 HD22 ' A' ' 97' ' ' LEU . 2.6 mt -75.85 -55.16 5.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.949 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -70.04 -10.26 58.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -42.62 -66.19 0.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 5.2 mtm -98.46 -43.75 6.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.816 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.95 129.51 1.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.932 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -156.88 -63.17 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.474 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 33.8 m -72.18 154.31 7.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.821 0.343 . . . . 0.0 111.117 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.961 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.707 0.289 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -113.11 161.18 17.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.479 ' O ' ' CG1' ' A' ' 4' ' ' ILE . 0.8 OUTLIER -57.87 -56.81 17.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.479 ' CG1' ' O ' ' A' ' 3' ' ' ASP . 4.8 pt 46.42 26.62 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.166 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.43 ' CD1' HG13 ' A' ' 4' ' ' ILE . 19.4 m-30 -120.36 -23.37 6.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.89 -11.98 59.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.608 ' HB3' ' OD2' ' A' ' 88' ' ' ASP . . . -79.25 -46.91 16.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.052 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.728 ' HB2' HG11 ' A' ' 82' ' ' VAL . . . -52.23 -55.37 21.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.041 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.6 p -58.41 -29.08 37.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -69.49 -28.51 66.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -114.96 34.76 4.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.1 mt -76.77 113.76 14.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.479 HG23 ' H ' ' A' ' 16' ' ' GLN . 8.3 t -114.14 131.84 56.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.184 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -55.3 -26.62 41.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -54.87 -59.22 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.558 ' HG3' HD11 ' A' ' 78' ' ' LEU . 8.9 pt20 -75.69 -32.11 59.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.96 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.56 -22.39 55.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.419 ' HA ' ' HG2' ' A' ' 21' ' ' LYS . 9.0 t-20 -87.11 -24.34 24.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -87.61 -47.56 8.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.498 ' C ' ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -65.01 -11.38 38.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.828 -179.855 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.419 ' HG2' ' HA ' ' A' ' 18' ' ' ASN . 0.0 OUTLIER -88.37 -18.81 27.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.22 -33.02 14.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.109 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.75 -54.68 6.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.083 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -60.4 -36.15 77.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.422 ' HA ' HG22 ' A' ' 28' ' ' VAL . 10.5 t70 -56.25 -27.71 56.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.8 mt -82.86 -25.19 8.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.072 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.4 -26.1 23.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.49 HG12 HG21 ' A' ' 36' ' ' ILE . 18.1 m -95.11 25.48 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.12 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.6 tp -52.6 -43.67 65.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -85.18 -33.76 16.6 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.521 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.541 ' HB1' ' H ' ' A' ' 35' ' ' SER . . . -71.28 107.66 4.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.673 0.273 . . . . 0.0 111.075 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -64.18 -35.08 79.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -109.88 24.33 13.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 62.41 28.54 71.26 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.481 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.541 ' H ' ' HB1' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -64.38 92.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.834 0.349 . . . . 0.0 110.937 -179.732 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.49 HG21 HG12 ' A' ' 28' ' ' VAL . 9.8 tt -174.52 128.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.199 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.97 -74.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.8 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.2 t -89.87 -33.68 16.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -89.62 56.18 3.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.925 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.441 ' HG3' HD12 ' A' ' 41' ' ' LEU . 18.8 pt-20 -61.69 -35.29 77.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.441 HD12 ' HG3' ' A' ' 40' ' ' GLU . 5.6 mp -72.31 -40.88 67.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.66 -27.17 73.09 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.533 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.408 ' HG3' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -57.01 -31.22 64.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.844 0.354 . . . . 0.0 110.895 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.3 t -54.97 -31.72 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.8 mmt -75.53 -38.37 59.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.65 -42.97 71.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 23.6 mtt -60.15 -25.34 65.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.8 mt -95.77 29.37 2.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.39 19.16 64.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.34 105.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -112.72 160.61 30.0 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.659 0.742 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 113.6 3.42 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.686 2.257 . . . . 0.0 112.348 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.507 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.94 -58.85 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.577 0.703 . . . . 0.0 111.204 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 53' ' ' THR . 54.2 Cg_endo -69.74 -15.73 37.3 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.377 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -55.71 -30.97 62.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -71.95 -30.4 65.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 67.8 mt -71.03 -27.08 63.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -52.06 -32.1 33.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -72.74 -34.81 67.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.832 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.79 -50.52 23.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.85 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 26.7 pt -59.73 -25.56 32.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.38 -29.38 48.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -102.45 29.36 5.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.3 t -128.14 -41.67 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -68.43 95.01 0.59 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -57.58 -25.7 60.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -70.68 -10.72 60.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 54.19 28.52 42.42 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.429 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 96.3 p -100.2 -28.37 13.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.927 0.394 . . . . 0.0 110.913 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 69.14 19.32 73.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.7 t -153.87 149.28 27.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.848 0.356 . . . . 0.0 111.117 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.403 ' O ' HG13 ' A' ' 72' ' ' VAL . 6.3 p -102.63 122.29 54.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -85.69 -170.22 3.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -65.22 -74.05 0.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -54.51 -27.02 35.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.414 ' HA ' HG23 ' A' ' 79' ' ' VAL . 5.0 mt-10 -55.63 -30.3 60.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -56.54 -33.49 66.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.558 HD11 ' HG3' ' A' ' 16' ' ' GLN . 0.3 OUTLIER -72.41 -24.8 61.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.414 HG23 ' HA ' ' A' ' 76' ' ' GLU . 51.9 t -60.25 -19.78 18.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 29.2 mmt -84.09 -7.85 59.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.7 mtp -93.36 -40.08 10.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.728 HG11 ' HB2' ' A' ' 8' ' ' ALA . 13.5 m -61.12 -30.51 47.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.18 -33.54 70.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.82 -24.32 61.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.887 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.405 ' O ' ' C ' ' A' ' 86' ' ' LYS . 20.1 mtt -101.25 7.34 43.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 85' ' ' MET . 17.6 pttm 37.66 43.8 0.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -136.42 97.82 3.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.822 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.608 ' OD2' ' HB3' ' A' ' 7' ' ' ALA . 5.9 m-20 -155.72 -176.02 5.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.557 ' H ' ' HB2' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -114.66 -170.05 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.739 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.95 173.88 11.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 136.93 -159.87 24.73 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.523 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.45 153.07 30.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.28 95.66 5.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -76.85 -23.16 52.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.927 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.97 -26.55 37.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.32 -33.35 42.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.413 HD13 ' HB3' ' A' ' 154' ' ' LEU . 0.6 OUTLIER -54.84 -26.71 36.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 38.9 p -68.01 -28.14 67.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -66.82 -61.1 2.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.2 mp -56.41 -34.34 66.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.68 -55.93 21.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -16.72 64.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -86.07 -25.73 25.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -96.4 -34.88 11.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -77.46 60.07 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -73.07 -13.09 61.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -74.07 -7.76 53.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 50.27 31.39 5.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.115 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.2 p-10 -108.48 -3.87 17.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.43 -25.14 22.2 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.538 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -108.75 170.51 7.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.929 0.395 . . . . 0.0 110.924 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.492 HG21 HD21 ' A' ' 117' ' ' LEU . 22.5 mm -100.35 139.88 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.171 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.41 149.45 29.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.664 ' HA ' HD12 ' A' ' 117' ' ' LEU . 4.6 mt -49.24 -44.71 43.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.13 -35.09 33.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.786 ' HA ' HD12 ' A' ' 119' ' ' ILE . 6.1 mt-10 -81.19 -25.43 36.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.664 HD12 ' HA ' ' A' ' 114' ' ' LEU . 23.8 mt -77.92 -49.54 13.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.741 ' HA ' HD23 ' A' ' 121' ' ' LEU . 0.2 OUTLIER -62.73 -28.48 69.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 179.772 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.786 HD12 ' HA ' ' A' ' 116' ' ' GLU . 7.7 mt -52.76 -37.01 24.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.547 ' O ' HG23 ' A' ' 124' ' ' THR . 0.3 OUTLIER -69.52 -29.26 66.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.825 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.741 HD23 ' HA ' ' A' ' 118' ' ' LYS . 0.3 OUTLIER -84.4 -25.18 29.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -82.3 -22.62 35.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -95.27 26.73 3.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 120' ' ' MET . 57.6 p -125.62 -45.59 1.77 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 100.37 17.18 25.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.453 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.58 -176.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.921 0.391 . . . . 0.0 110.895 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.6 p -131.22 70.75 1.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.085 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.448 HD11 HD13 ' A' ' 121' ' ' LEU . 0.2 OUTLIER -130.65 174.93 12.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.885 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.5 p -99.26 162.64 12.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -74.38 -29.34 61.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.24 -27.03 43.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -71.3 -41.89 69.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.846 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.6 -27.86 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -62.41 -33.28 74.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -72.33 -30.06 64.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.79 -58.81 5.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -54.05 -37.17 63.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -71.47 -25.34 62.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -77.66 -58.13 3.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -58.6 -30.88 66.09 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -51.5 109.87 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.919 0.39 . . . . 0.0 110.828 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -117.66 -27.97 6.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -79.25 -2.61 41.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 67.1 t30 63.49 26.08 14.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -101.35 -20.13 15.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.821 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 90.13 21.28 39.22 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -153.98 160.4 42.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.761 0.315 . . . . 0.0 110.893 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 22.5 mm -85.91 139.44 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.181 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -131.1 -173.98 3.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.37 60.42 1.55 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.964 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 179.13 -33.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.82 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -72.91 -43.83 61.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' FTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.413 ' HB3' HD13 ' A' ' 97' ' ' LEU . 1.6 mt -75.51 -55.98 5.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -70.41 -9.69 57.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -42.16 -66.12 0.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 14.5 mmt -59.79 -39.48 85.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -53.58 -75.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.935 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 52.09 72.59 0.49 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.444 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 21.5 t -78.38 122.11 32.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.816 0.341 . . . . 0.0 111.161 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.777 0.322 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.87 -50.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.831 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -58.91 -29.03 66.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.513 HD12 ' CE1' ' A' ' 5' ' ' TYR . 1.0 OUTLIER -50.79 -35.35 13.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.513 ' CE1' HD12 ' A' ' 4' ' ' ILE . 22.3 m-85 -104.19 -40.26 6.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -61.49 -17.97 56.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.14 -51.42 25.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.138 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.32 -26.46 40.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 91.1 t -52.1 -40.64 30.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -63.6 -30.27 71.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -111.05 29.48 7.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.954 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 mt -56.5 128.72 37.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.1 p -118.06 131.5 56.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.151 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -68.54 -25.54 64.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.71 -26.98 47.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -59.92 -32.29 70.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -57.72 -33.81 68.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -81.33 -22.9 38.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -52.92 51.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.492 ' C ' ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -90.66 17.73 7.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.97 -25.9 40.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.23 -30.72 10.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.089 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.44 -27.33 58.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.079 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.673 ' O ' HG22 ' A' ' 28' ' ' VAL . 49.7 t80 -75.97 -31.31 58.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.818 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -72.1 -30.13 64.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.836 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.4 mt -81.74 -38.88 16.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -30.71 71.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.673 HG22 ' O ' ' A' ' 24' ' ' PHE . 21.9 m -106.67 26.26 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.3 tt -54.22 -34.7 61.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -94.97 -33.26 6.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.505 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.17 111.59 17.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.756 0.312 . . . . 0.0 111.075 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -79.34 -26.76 42.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.94 -14.82 59.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.827 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.93 28.06 55.19 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -98.86 118.87 36.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.839 0.352 . . . . 0.0 110.837 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.482 ' CG2' HG12 ' A' ' 28' ' ' VAL . 1.3 pt -152.26 98.57 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.105 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.0 p -179.32 -60.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.806 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 44.6 p -54.32 -41.59 69.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.163 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.01 37.57 1.94 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -68.55 -40.57 80.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.5 mt -71.97 -45.63 60.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.14 -25.22 75.91 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.494 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -33.66 66.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.9 t -56.81 -38.45 58.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.123 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.7 mmt -68.52 -28.87 67.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.9 ttm-85 -66.8 -27.08 67.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 5.4 mtt -69.19 -24.65 64.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 75.7 mt -95.41 26.6 3.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.3 17.99 59.78 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.501 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.25 101.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.755 0.312 . . . . 0.0 110.932 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -116.0 160.56 34.9 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.541 0.686 . . . . 0.0 110.998 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 114.87 3.84 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.659 2.24 . . . . 0.0 112.386 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.516 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.93 -58.86 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.559 0.695 . . . . 0.0 111.181 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 53' ' ' THR . 54.5 Cg_endo -69.75 -10.32 28.27 Favored 'Trans proline' 0 N--CA 1.466 -0.135 0 C-N-CA 122.716 2.278 . . . . 0.0 112.403 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -55.64 -41.45 73.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.957 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -79.22 -32.55 43.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.1 mt -68.08 -27.15 66.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.13 -29.96 24.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -74.32 -35.8 63.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.98 -50.53 27.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.618 ' O ' HG12 ' A' ' 64' ' ' VAL . 29.5 pt -58.76 -25.0 27.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.089 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.98 -34.47 42.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.6 58.19 1.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.618 HG12 ' O ' ' A' ' 61' ' ' ILE . 10.9 p -117.07 -27.84 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.07 105.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -72.06 -35.45 69.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.9 p30 -77.62 -10.69 59.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.24 57.21 19.48 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.475 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 45.4 p -118.83 -36.56 3.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.91 0.386 . . . . 0.0 110.84 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 92.93 -20.11 47.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.461 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.2 t -143.2 165.97 25.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.87 0.367 . . . . 0.0 111.168 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.479 HG11 HG13 ' A' ' 36' ' ' ILE . 6.4 p -91.94 128.71 43.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.162 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -87.05 177.5 7.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -70.43 -40.87 73.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.648 ' O ' HG23 ' A' ' 79' ' ' VAL . 0.2 OUTLIER -72.66 -26.34 61.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -55.48 -52.87 62.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.39 -36.15 78.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 mp -58.6 -26.52 63.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 75' ' ' ASP . 91.3 t -62.51 -25.35 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -80.18 -26.11 39.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -25.88 60.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.899 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 79' ' ' VAL . 19.1 m -53.07 -28.97 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.153 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -70.66 -46.84 62.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.35 -30.74 52.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.28 91.75 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.25 59.58 1.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -125.36 171.17 10.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.985 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.91 -175.59 4.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.822 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 69.12 -76.07 0.06 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? 56.26 92.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.939 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 106.17 116.9 4.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.609 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -167.46 29.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.78 0.324 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.05 -170.21 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -66.41 -27.81 68.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.51 -26.2 53.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -52.81 -33.65 50.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -52.53 -32.32 40.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.6 p -59.54 -47.52 85.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.839 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -69.32 -41.25 76.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.511 HD12 ' HE2' ' A' ' 104' ' ' PHE . 3.3 mm? -56.48 -37.99 71.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -51.99 -56.59 13.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.67 -24.77 61.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.12 -25.5 62.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.839 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.511 ' HE2' HD12 ' A' ' 100' ' ' LEU . 6.0 m-85 -96.53 -22.87 16.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -77.03 60.49 1.84 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 45.1 mttm -66.41 -22.48 66.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.844 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -78.08 -9.08 58.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 46.53 34.39 2.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.082 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -104.43 4.67 33.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.99 -29.61 7.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.476 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -108.53 174.89 5.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.879 0.371 . . . . 0.0 110.938 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.632 HG21 ' F ' ' A' ' 153' ' ' FTR . 23.7 mm -101.28 139.63 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.145 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.35 157.94 16.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.8 mt -59.22 -55.57 33.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -56.86 -21.67 31.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -81.62 -54.06 5.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.55 HD12 ' N ' ' A' ' 118' ' ' LYS . 1.6 pp -69.61 -49.53 53.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.55 ' N ' HD12 ' A' ' 117' ' ' LEU . 8.4 ptpt -60.91 -26.67 67.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.936 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -50.48 -29.79 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.1 ttt -70.23 -39.2 75.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.682 HD13 ' CG1' ' A' ' 128' ' ' ILE . 0.5 OUTLIER -76.24 -23.21 54.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.958 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.0 -14.5 63.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -89.03 -12.64 40.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.5 t -112.3 -43.35 3.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 57.38 34.84 69.2 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.471 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.36 -76.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.915 0.388 . . . . 0.0 110.882 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -166.8 27.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.682 ' CG1' HD13 ' A' ' 121' ' ' LEU . 17.3 pt -120.06 148.24 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 32.5 p -105.35 175.89 5.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -74.85 -38.87 61.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.83 -35.91 46.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.2 -47.56 15.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.537 HD12 ' CD1' ' A' ' 117' ' ' LEU . 0.4 OUTLIER -52.93 -27.3 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.172 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -56.67 -52.41 65.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.07 -29.88 68.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.03 -27.56 61.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 2.0 ttm -51.47 -46.04 62.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.53 -25.59 64.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -85.29 -0.58 55.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.746 ' O ' HG23 ' A' ' 148' ' ' ILE . . . -131.1 -1.92 4.78 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.528 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 35.7 p-10 -100.38 -161.86 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.382 . . . . 0.0 110.844 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -76.21 8.55 3.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.825 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.62 HD22 ' N ' ' A' ' 143' ' ' ASN . 0.9 OUTLIER 63.8 14.41 8.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.895 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -178.94 26.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -142.64 -4.27 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 50.2 27.94 12.18 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 7.4 mtt85 -138.8 134.02 32.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.35 . . . . 0.0 110.879 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.746 HG23 ' O ' ' A' ' 140' ' ' GLY . 3.2 mt -92.42 98.52 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.91 178.96 7.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -76.92 62.68 2.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . 0.47 ' O ' HD12 ' A' ' 154' ' ' LEU . 8.1 t70 -171.1 -37.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.921 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -82.02 -35.03 29.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' FTR . . . . . 0.632 ' F ' HG21 ' A' ' 112' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.47 HD12 ' O ' ' A' ' 151' ' ' ASP . 1.2 mt -73.23 -37.94 66.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.91 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -85.2 -8.01 58.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -40.25 -65.72 0.38 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.532 ' O ' HG13 ' A' ' 160' ' ' VAL . 0.0 OUTLIER -72.47 -33.85 67.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.935 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -76.3 77.1 3.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 129.52 36.16 0.42 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.522 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 157' ' ' MET . 20.3 m -67.59 162.85 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.78 0.324 . . . . 0.0 111.139 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.9 mtp . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.875 0.369 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -172.8 -170.98 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.678 ' C ' HD13 ' A' ' 4' ' ' ILE . 5.6 m-20 -81.24 -57.01 3.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.813 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.678 HD13 ' C ' ' A' ' 3' ' ' ASP . 0.2 OUTLIER 39.95 30.79 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.17 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.693 ' O ' HG23 ' A' ' 9' ' ' VAL . 20.0 m-85 -127.39 -69.53 0.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.46 -15.15 59.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.02 -33.0 22.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.076 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.1 -35.51 49.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 5' ' ' TYR . 99.3 t -62.22 -26.13 39.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.175 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -51.15 -47.8 62.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.1 -21.31 60.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.457 HD12 HE22 ' A' ' 16' ' ' GLN . 3.8 mm? -78.02 178.01 7.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.0 t -120.47 131.21 54.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -59.14 -26.83 65.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -56.44 -27.28 56.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.457 HE22 HD12 ' A' ' 12' ' ' LEU . 9.0 pt20 -56.81 -32.44 65.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.8 ttpp -58.19 -39.76 79.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.21 -22.82 38.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -64.96 -53.07 52.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.695 ' CZ ' HD13 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -90.74 17.69 7.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.84 -26.83 40.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.71 -29.73 10.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.135 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.96 -25.19 52.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -65.25 -43.52 91.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -28.42 67.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.5 mt -82.68 -35.28 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -58.37 8.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.661 HG12 HG21 ' A' ' 36' ' ' ILE . 19.2 m -97.13 26.45 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 30.2 tp -51.94 -30.07 23.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -102.66 -32.62 4.73 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.496 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.636 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . . . -57.1 123.99 17.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 0.0 111.05 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -93.01 -27.62 16.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.74 -14.89 59.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.814 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 60.91 27.32 66.73 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.455 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.6 t -111.2 112.93 25.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.864 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.661 HG21 HG12 ' A' ' 28' ' ' VAL . 5.0 pt -150.74 150.32 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.1 m -153.87 24.28 0.5 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.42 HG22 ' HA3' ' A' ' 42' ' ' GLY . 0.6 OUTLIER -55.31 -51.25 67.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.097 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.8 mttm 59.3 -116.99 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.572 ' O ' HG22 ' A' ' 44' ' ' VAL . 1.8 tt0 -95.92 -64.29 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 mp -52.34 -27.05 13.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.42 ' HA3' HG22 ' A' ' 38' ' ' THR . . . -81.65 -49.81 5.26 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.457 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -32.13 73.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.87 0.367 . . . . 0.0 110.951 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.572 HG22 ' O ' ' A' ' 40' ' ' GLU . 23.4 m -75.37 -39.92 42.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.424 ' N ' HG23 ' A' ' 44' ' ' VAL . 7.7 ptt? -76.98 -31.38 56.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -76.07 -34.92 59.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.815 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 20.0 mtt -84.24 -55.58 4.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.9 mt -68.99 -19.4 64.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 53.56 30.99 43.63 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.48 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -52.14 170.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.785 0.326 . . . . 0.0 110.918 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -51.85 160.9 1.01 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.668 0.747 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 130.44 19.31 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.711 2.274 . . . . 0.0 112.358 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.52 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.85 -58.93 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.511 0.672 . . . . 0.0 111.13 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 53' ' ' THR . 53.3 Cg_endo -69.78 -8.3 23.25 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.258 . . . . 0.0 112.31 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -55.52 -30.6 60.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -53.33 -29.9 36.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 61' ' ' ILE . 14.3 mt -52.04 -29.92 23.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -62.07 -37.77 86.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -75.53 -28.55 59.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.6 -46.14 23.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.567 HG23 ' O ' ' A' ' 57' ' ' LEU . 47.8 pt -58.66 -24.29 25.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.065 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -53.22 -28.63 27.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.906 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -114.93 71.97 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 61' ' ' ILE . 23.9 m -124.0 -37.59 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.108 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -53.1 102.9 0.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -73.63 -36.06 65.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.0 p-10 -80.8 -10.76 59.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.9 65.48 2.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.7 p -115.99 -36.19 4.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.935 0.398 . . . . 0.0 110.913 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.43 -24.65 30.95 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.533 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.9 t -121.14 165.61 15.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.773 0.321 . . . . 0.0 111.164 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.6 p -119.25 124.28 72.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.1 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.28 -175.99 4.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -61.56 -73.56 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.419 ' O ' HG23 ' A' ' 79' ' ' VAL . 0.2 OUTLIER -55.02 -28.83 55.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.6 -45.96 81.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.1 -51.56 69.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.695 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 2.3 mp -54.13 -38.4 65.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 75' ' ' ASP . 94.4 t -76.89 -22.9 14.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.88 -26.47 29.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -54.66 42.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 32.3 m -53.14 -32.52 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -71.11 -32.26 68.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 41.1 m -51.99 110.38 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -175.13 -35.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -146.88 179.69 7.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.931 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -94.93 123.48 38.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.18 -170.02 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.9 m 63.19 163.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.809 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -173.86 142.88 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -143.73 111.86 0.66 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.528 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.29 63.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.75 0.309 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.42 148.52 43.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -75.55 -20.69 58.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -54.82 -26.68 36.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.53 -33.87 47.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.434 HD13 HD22 ' A' ' 154' ' ' LEU . 0.5 OUTLIER -55.47 -26.23 41.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.977 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 57.1 p -61.79 -33.13 73.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -66.93 -63.09 1.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.3 mp -56.5 -30.96 63.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -51.93 -57.44 9.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -75.79 -31.35 59.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -30.54 22.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -96.27 -26.43 15.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -68.24 87.19 0.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.802 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.0 mttp -88.27 -24.49 23.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 39.3 m-20 -80.75 -7.92 59.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 49.35 32.41 4.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.074 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.3 p-10 -96.45 2.61 52.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.35 -28.25 10.23 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.505 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -108.89 175.95 5.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.936 0.398 . . . . 0.0 110.92 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 12.7 mm -108.5 139.34 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.173 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.85 136.16 42.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.93 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.774 HD12 ' N ' ' A' ' 115' ' ' ASP . 0.6 OUTLIER -56.17 -21.66 24.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.981 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.774 ' N ' HD12 ' A' ' 114' ' ' LEU . 74.6 m-20 -78.7 -23.68 45.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.925 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -85.24 -49.91 7.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.573 HD12 ' N ' ' A' ' 118' ' ' LYS . 2.2 pp -64.29 -43.13 95.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.573 ' N ' HD12 ' A' ' 117' ' ' LEU . 17.5 ptpt -54.74 -25.52 28.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 71.2 mt -50.6 -29.92 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -61.64 1.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.768 HD21 HG12 ' A' ' 133' ' ' ILE . 2.1 pp -65.0 -16.87 63.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -82.84 -20.96 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.945 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.47 -70.15 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.4 HG23 ' N ' ' A' ' 125' ' ' GLY . 3.5 t -51.24 -44.29 61.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.15 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.4 ' N ' HG23 ' A' ' 124' ' ' THR . . . 56.98 33.5 64.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.503 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.565 ' O ' HG23 ' A' ' 127' ' ' THR . 5.7 tt0 -51.45 -75.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.908 0.385 . . . . 0.0 110.87 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 126' ' ' GLU . 0.2 OUTLIER -168.99 77.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.207 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.55 159.73 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.099 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 70.2 p -106.6 160.25 15.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.148 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -75.04 -24.47 58.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -60.57 -25.85 66.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.807 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.17 -43.6 23.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.82 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.768 HG12 HD21 ' A' ' 121' ' ' LEU . 0.4 OUTLIER -54.92 -27.3 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.181 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -63.91 -27.65 69.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.95 -29.54 55.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.54 -59.14 4.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.8 ttm -60.97 -29.23 69.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -69.22 -45.45 69.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -71.1 -47.48 57.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -52.86 -41.06 58.11 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.556 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -70.32 92.81 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.359 . . . . 0.0 110.843 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -105.27 -18.93 13.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -80.12 -6.68 58.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 63.42 80.69 0.22 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -150.35 -40.78 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 116.28 10.09 11.06 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -154.03 164.82 37.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.737 0.304 . . . . 0.0 110.908 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.656 HG21 ' HE3' ' A' ' 153' ' ' FTR . 13.6 mm -86.32 100.76 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.064 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.47 -170.99 2.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -74.82 -27.02 60.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.29 -12.26 35.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.81 -47.36 15.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' FTR . . . . . 0.656 ' HE3' HG21 ' A' ' 148' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.434 HD22 HD13 ' A' ' 97' ' ' LEU . 5.4 mt -70.1 -58.46 3.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -68.62 -10.65 57.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.57 -64.68 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 8.6 mmt -76.08 60.42 1.43 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -137.32 33.67 2.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 52.84 32.63 41.32 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.536 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 22.7 t -66.17 137.58 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.735 0.302 . . . . 0.0 111.199 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.958 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.815 0.34 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.18 -34.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -79.32 -24.59 42.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.541 ' N ' HD13 ' A' ' 4' ' ' ILE . 0.2 OUTLIER -49.71 -28.3 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.423 ' CD1' HG12 ' A' ' 4' ' ' ILE . 21.7 m-85 -109.2 -25.39 10.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -71.59 -26.68 62.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.63 -41.78 83.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.073 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.474 ' HB2' ' CG2' ' A' ' 82' ' ' VAL . . . -57.57 -43.34 84.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.2 t -53.57 -34.43 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -60.02 -42.31 94.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -104.64 24.37 11.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.605 HD21 ' HD2' ' A' ' 17' ' ' LYS . 5.3 tp -125.38 111.36 15.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.85 148.3 22.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -52.49 -34.33 48.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -60.22 -59.05 6.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -66.9 -31.5 72.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.943 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.605 ' HD2' HD21 ' A' ' 12' ' ' LEU . 9.6 ttpt -58.12 -22.0 48.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.409 ' HA ' ' HG2' ' A' ' 21' ' ' LYS . 3.5 t-20 -87.3 -24.31 24.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.76 -46.88 9.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.638 ' CE1' HD12 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -65.84 -10.78 41.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.682 ' HB2' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -88.44 -13.06 41.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.447 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -67.45 -46.97 71.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.04 -23.62 47.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -74.62 -30.78 61.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -76.62 -27.27 55.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.844 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.447 HG23 ' O ' ' A' ' 22' ' ' ALA . 0.1 OUTLIER -84.12 -28.07 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -41.5 75.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.496 ' HB ' ' HB3' ' A' ' 31' ' ' ALA . 22.8 m -95.37 26.5 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.104 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.9 tt -51.89 -30.33 23.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -90.96 -21.83 34.85 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.438 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.496 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . . . -91.06 124.22 35.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.742 0.306 . . . . 0.0 111.07 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -93.17 -25.65 17.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.09 -14.89 61.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.01 17.95 68.32 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.465 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.4 m -112.61 125.4 54.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.346 . . . . 0.0 110.857 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.434 HG21 HG12 ' A' ' 28' ' ' VAL . 1.3 pt -152.91 100.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.163 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 p -158.6 26.28 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.2 -37.11 24.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.179 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -173.33 64.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -88.57 -34.9 17.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.601 HD21 HG21 ' A' ' 61' ' ' ILE . 3.4 pp -69.97 -41.1 74.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.444 ' N ' HD12 ' A' ' 41' ' ' LEU . . . -76.1 -25.19 67.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.476 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.81 -25.65 56.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 41' ' ' LEU . 18.6 m -54.15 -30.52 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.12 -28.75 64.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -75.82 -34.24 60.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -26.7 38.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 75.9 mt -105.05 -19.09 13.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.66 46.67 13.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -97.32 -176.15 3.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.792 0.329 . . . . 0.0 110.927 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -72.6 160.6 82.41 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.649 0.738 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 153.69 68.67 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.692 2.261 . . . . 0.0 112.34 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.517 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 1.1 m 178.89 -58.89 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.584 0.707 . . . . 0.0 111.151 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 53' ' ' THR . 53.4 Cg_endo -69.77 -14.48 36.12 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.682 2.255 . . . . 0.0 112.338 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -55.72 -30.92 61.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -66.89 -30.26 70.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.432 HD13 ' CD1' ' A' ' 41' ' ' LEU . 9.8 mt -55.14 -27.09 42.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -51.98 -35.19 45.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -75.3 -31.23 60.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.0 -47.14 30.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.669 ' O ' HG12 ' A' ' 64' ' ' VAL . 47.0 pt -58.56 -25.31 27.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -52.02 -30.05 23.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -128.67 50.64 2.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.669 HG12 ' O ' ' A' ' 61' ' ' ILE . 11.1 p -112.07 -25.35 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.153 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.66 102.85 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -72.52 -32.69 66.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -74.67 -10.73 59.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 62.28 63.26 4.86 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 80.8 p -121.08 -34.18 3.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 110.841 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.25 -26.75 15.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.449 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.8 t -122.2 173.23 7.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.817 0.341 . . . . 0.0 111.14 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.1 t -113.38 119.17 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.13 -170.32 2.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.567 ' O ' HD23 ' A' ' 78' ' ' LEU . 9.9 m-85 -88.55 -28.07 20.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -66.67 -50.73 61.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.833 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -69.21 -30.23 68.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -73.47 -49.95 24.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.682 HD11 ' HB2' ' A' ' 21' ' ' LYS . 2.5 mm? -51.68 -43.28 62.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.652 ' O ' HG12 ' A' ' 82' ' ' VAL . 14.7 p -75.35 -24.78 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.3 mtp -68.24 -17.09 64.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.84 -34.71 41.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.652 HG12 ' O ' ' A' ' 79' ' ' VAL . 6.8 p -52.96 -32.25 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.104 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 62.2 mtp85 -53.85 -41.44 67.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.9 m -57.61 -67.9 0.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.46 -34.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.04 178.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -105.29 -174.7 2.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -107.63 130.63 54.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -162.88 -171.67 2.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -148.37 163.79 36.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 152.07 136.37 2.41 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.469 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -136.69 179.22 6.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.775 0.321 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 m -97.19 172.29 7.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -73.6 -28.05 61.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.49 -40.24 92.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -69.3 -34.08 74.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.402 ' HB3' HD22 ' A' ' 154' ' ' LEU . 5.5 mt -55.43 -30.78 61.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.43 -24.11 50.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -86.27 -47.89 9.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.632 HD12 ' HE2' ' A' ' 104' ' ' PHE . 4.4 mm? -62.2 -31.86 72.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -59.6 -56.52 20.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -75.53 -25.08 56.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 13.5 tpt -70.39 -44.86 67.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.632 ' HE2' HD12 ' A' ' 100' ' ' LEU . 8.6 m-85 -77.63 -11.72 59.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -76.58 62.86 1.99 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -67.13 -14.33 62.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -76.02 -8.57 57.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 48.86 31.95 3.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 53.8 p-10 -115.79 -13.08 11.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 105.28 -19.73 39.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.484 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -109.07 175.87 5.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.886 0.374 . . . . 0.0 110.888 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.414 HG21 ' F ' ' A' ' 153' ' ' FTR . 11.7 mm -102.82 137.67 30.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.159 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -110.63 158.86 18.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 14.1 mt -53.43 -50.65 64.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.729 ' O ' HD12 ' A' ' 119' ' ' ILE . 1.6 m-20 -53.47 -44.53 69.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.848 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -57.88 -54.89 41.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.576 ' CD1' HD11 ' A' ' 133' ' ' ILE . 2.9 pp -68.36 -24.65 64.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.609 ' HG3' HD12 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -58.17 -50.59 73.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.786 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.729 HD12 ' O ' ' A' ' 115' ' ' ASP . 2.4 mp -57.49 -35.52 50.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.4 tpt -62.66 -61.47 2.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 1.044 HD13 HD11 ' A' ' 128' ' ' ILE . 1.6 pp -66.87 -20.13 65.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -67.64 -25.03 65.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.22 -18.37 65.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.091 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -167.4 -65.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.179 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 89.8 -15.6 58.73 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.464 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 71.62 -70.5 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.947 0.403 . . . . 0.0 110.897 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -167.51 28.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 1.044 HD11 HD13 ' A' ' 121' ' ' LEU . 1.8 pt -93.3 167.88 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.66 177.31 4.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.159 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.488 ' O ' HG22 ' A' ' 133' ' ' ILE . 17.7 mt-10 -68.92 -49.0 61.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -68.88 -18.97 64.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.58 -29.27 69.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.609 HD12 ' HG3' ' A' ' 118' ' ' LYS . 3.5 tt -49.3 -32.35 5.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.093 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.41 -42.99 67.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -68.79 -30.06 68.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.15 -58.88 6.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 15.8 tpt -59.59 -54.19 49.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 15.5 mmtt -51.73 -43.41 62.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -71.89 -25.53 61.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.582 ' HA3' HD11 ' A' ' 148' ' ' ILE . . . -55.54 -50.69 59.15 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.465 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -81.58 130.6 35.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.852 0.358 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.02 -11.58 9.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -67.28 -77.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 175.38 -36.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.63 -35.01 40.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 104.52 -11.69 50.59 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.455 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -112.39 157.75 20.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.827 0.346 . . . . 0.0 110.827 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.582 HD11 ' HA3' ' A' ' 140' ' ' GLY . 22.4 mt -88.39 138.27 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -134.32 -162.7 1.28 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -75.25 60.57 1.1 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -175.99 -36.42 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 28.5 mp0 -81.27 -34.57 31.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' FTR . . . . . 0.436 ' HE3' HG21 ' A' ' 148' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.402 HD22 ' HB3' ' A' ' 97' ' ' LEU . 1.9 mt -75.89 -36.39 59.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.934 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -85.33 -8.33 58.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.851 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -41.14 -65.86 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 3.2 ptp -116.22 30.86 7.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.59 -167.12 2.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.943 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -147.0 20.72 1.59 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.502 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 39.0 t -97.87 145.42 9.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.8 0.333 . . . . 0.0 111.106 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.978 . . . . . . . . 1 1 . 1 stop_ save_