data_1ne5_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 1ne5 _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 ' 5' ' ' CYS . . . . . . . . . . . . . 92.0 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.767 0.318 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.4 t -53.23 -42.83 48.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.339 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -105.71 25.71 10.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.041 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.53 -53.62 1.01 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.801 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 t -95.5 123.95 39.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.0 ttt85 -64.89 -165.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.433 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 2.8 t -176.73 173.09 2.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.751 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.41 -178.46 5.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.844 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.465 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 20.7 tttt -46.88 -48.7 21.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.423 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.417 ' CZ ' ' HD3' ' A' ' 13' ' ' LYS . 0.3 OUTLIER 176.78 161.41 0.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.963 0.411 . . . . 0.0 111.001 179.824 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.59 -135.19 11.36 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.675 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -113.19 116.91 30.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.807 0.337 . . . . 0.0 111.104 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.461 ' CE2' ' CB ' ' A' ' 19' ' ' GLU . 5.9 t80 -117.61 106.64 13.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.391 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.498 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 9.7 tt0 -46.73 -29.47 1.93 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.756 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.461 ' CB ' ' CE2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -65.58 -45.37 83.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.922 0.391 . . . . 0.0 110.688 179.904 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.0 t -66.7 -56.53 10.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.074 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.498 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -54.4 -31.52 55.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.084 -179.778 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.72 -44.13 70.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.648 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -58.19 -60.15 4.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.0 t -50.24 -57.88 6.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.123 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.21 -39.3 43.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.238 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.14 -24.21 61.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.163 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.43 -33.85 60.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.909 0.385 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 140.04 35.85 0.12 Allowed Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.623 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -139.04 -151.88 0.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 110.604 -0.147 . . . . 0.0 110.604 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -106.49 -44.7 4.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.792 0.33 . . . . 0.0 111.067 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 176.97 -151.54 11.26 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.414 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -167.08 -166.27 25.88 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.2 t -135.74 168.21 19.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 110.974 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.4 t -106.92 128.27 54.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.713 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.428 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -135.62 100.13 4.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.53 -179.548 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.422 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 83.0 t80 47.69 67.08 0.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.887 0.375 . . . . 0.0 111.764 179.102 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.465 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 5.2 m-85 58.93 18.97 6.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.042 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 35' ' ' MET . 28.2 mtpt -113.8 139.41 49.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.817 0.341 . . . . 0.0 110.275 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.3 t -103.51 106.22 16.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.337 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.7 tttm -112.25 162.59 15.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.279 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.2 m -92.75 -173.36 3.3 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.003 0.43 . . . . 0.0 111.039 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.205 -0.902 . . . . 1.0 111.093 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.9 t . . . . . 0 CA--C 1.528 0.105 0 CA-C-O 120.647 0.261 . . . . 0.0 111.281 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.0 t -49.52 -46.97 20.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.796 0.331 . . . . 0.0 111.457 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -94.51 -24.92 17.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.065 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -65.52 -66.36 0.56 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.082 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 t -89.55 162.71 15.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.077 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -93.22 -164.92 1.24 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.019 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.438 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 1.9 t -170.13 174.22 5.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.792 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.6 -178.61 5.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.723 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.492 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 6.2 ttmt -50.14 -44.99 52.71 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.741 0.305 . . . . 0.0 111.544 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.408 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 174.35 156.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.043 179.833 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.35 -134.07 11.16 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.76 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -107.93 131.66 54.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.837 0.351 . . . . 0.0 111.068 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.438 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 1.7 t80 -130.9 109.07 10.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.518 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.463 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 1.7 tp60 -49.65 -30.38 8.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.408 -179.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.85 -40.47 87.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.914 0.388 . . . . 0.0 110.711 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.9 t -71.2 -55.42 8.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.012 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.463 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -55.2 -33.3 62.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.012 -179.883 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -69.41 -46.24 67.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.71 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.98 -55.8 30.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.4 t -52.89 -60.17 3.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.593 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -52.6 -29.37 25.48 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.234 -179.589 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.421 ' N ' ' HG3' ' A' ' 25' ' ' LYS . 1.1 t-20 -79.23 -23.62 43.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.857 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.04 -32.06 50.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.821 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 137.05 37.78 0.16 Allowed Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.562 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -141.47 -150.64 0.32 Allowed 'General case' 0 C--N 1.33 -0.246 0 O-C-N 122.866 -0.196 . . . . 0.0 110.688 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -110.5 -52.02 2.82 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.723 0.297 . . . . 0.0 111.101 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -173.5 -152.16 8.66 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.435 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -170.11 -155.59 10.34 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.554 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 t -144.57 164.6 30.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.843 0.354 . . . . 0.0 110.981 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.2 t -107.69 128.76 54.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.784 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.443 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 8.8 mmm -134.41 100.25 4.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.545 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.418 ' CG ' ' O ' ' A' ' 36' ' ' PHE . 8.8 t80 48.4 63.13 2.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.009 0.433 . . . . 0.0 111.636 179.23 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.492 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 7.0 m-85 65.0 17.23 11.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.046 179.187 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 35' ' ' MET . 9.7 mtpt -109.26 139.13 44.59 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.813 0.34 . . . . 0.0 110.24 178.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 40.6 t -108.13 98.18 7.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.324 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -106.34 162.87 13.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.312 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 7.1 m -98.04 -172.62 2.4 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 120.891 0.377 . . . . 0.0 111.131 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.161 -0.923 . . . . 0.0 111.068 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.2 t . . . . . 0 CA--C 1.528 0.113 0 CA-C-O 120.703 0.287 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.4 t -49.17 -54.33 6.06 Favored 'Isoleucine or valine' 0 C--O 1.231 0.13 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.428 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.83 -28.68 24.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.964 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -66.26 -66.25 0.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.982 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.2 t -86.03 153.26 22.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.046 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -87.2 -164.82 1.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.009 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.43 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 2.6 t -172.66 173.08 4.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.681 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.45 178.86 6.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.793 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.465 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 43.8 tttm -46.32 -44.72 16.98 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.367 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.42 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER 174.52 166.54 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.916 0.389 . . . . 0.0 111.077 179.433 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.83 -133.89 11.82 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.705 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -107.16 137.88 44.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.891 0.377 . . . . 0.0 111.045 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.43 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 0.7 OUTLIER -134.47 107.82 7.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.496 179.725 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.45 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 0.9 OUTLIER -45.63 -37.45 5.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.606 -179.528 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -62.91 -46.24 88.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.844 0.354 . . . . 0.0 111.005 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.34 -52.87 63.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.191 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.45 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 4.3 pt20 -55.8 -35.25 66.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.835 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.432 ' N ' ' HG3' ' A' ' 21' ' ' GLN . 26.3 t0 -67.1 -36.38 81.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -68.31 -62.24 1.49 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.185 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.411 ' SG ' ' HB2' ' A' ' 29' ' ' HIS . 6.8 t -47.31 -49.82 23.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.709 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.78 -49.75 67.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.41 179.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.69 -25.75 60.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.835 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.42 -31.79 48.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.615 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 129.84 38.27 0.33 Allowed Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.367 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.411 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 74.4 m-70 -134.95 -148.34 0.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.357 0.122 . . . . 0.0 110.971 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -119.05 -38.07 3.11 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-O 120.627 0.251 . . . . 0.0 111.295 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 175.19 -151.88 12.76 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.374 -0.917 . . . . 0.0 112.5 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -171.73 -163.66 26.04 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.575 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.0 t -131.73 163.0 29.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.933 0.397 . . . . 0.0 111.039 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.1 t -109.63 125.23 52.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.802 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.436 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -130.32 99.11 4.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.543 -179.605 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.419 ' CG ' ' O ' ' A' ' 36' ' ' PHE . 22.8 t80 49.07 61.87 2.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.977 0.418 . . . . 0.0 111.46 179.226 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.465 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 6.9 m-85 67.15 15.98 10.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.007 179.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 35' ' ' MET . 12.2 mmtt -103.17 140.36 37.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.75 0.31 . . . . 0.0 110.216 178.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -107.38 91.99 3.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.401 -179.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -102.13 161.63 13.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.318 179.432 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.3 m -95.74 -173.11 2.77 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.013 0.435 . . . . 0.0 111.12 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.216 -0.897 . . . . 0.0 111.178 179.914 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.547 0.213 . . . . 0.0 111.317 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.9 t -51.29 -32.4 12.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.789 0.328 . . . . 0.0 111.405 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -117.49 31.34 6.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.0 -51.75 1.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.996 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.0 t -104.86 127.54 52.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.153 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -164.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.257 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.446 ' HA ' ' CE2' ' A' ' 17' ' ' TYR . 2.4 t -174.57 173.32 2.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.451 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.54 -174.91 4.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.651 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.464 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -53.27 -43.34 67.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.792 0.33 . . . . 0.0 111.097 -179.741 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.43 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 171.54 160.47 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.927 0.394 . . . . 0.0 111.005 179.621 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.1 -133.66 11.56 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.918 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -99.59 143.52 29.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.896 0.379 . . . . 0.0 111.256 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.446 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 3.1 t80 -153.38 101.7 2.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.373 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.462 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 10.4 tt0 -47.76 -29.2 2.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.614 -179.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -63.99 -48.35 76.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.97 0.414 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.5 t -66.24 -56.37 11.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.159 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.462 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -55.27 -32.26 62.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.234 -179.651 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.401 ' N ' ' HG3' ' A' ' 21' ' ' GLN . 32.7 t70 -68.25 -45.37 73.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.69 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -58.42 -61.78 2.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.987 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.5 t -47.86 -55.58 9.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.053 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.85 -31.9 60.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.963 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -75.57 -23.63 56.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.174 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.77 -47.01 19.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.912 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 156.44 38.05 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.319 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 -140.34 -150.94 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.414 0.15 . . . . 0.0 110.765 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -110.48 -40.28 4.67 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.769 0.319 . . . . 0.0 111.04 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 174.62 -150.71 11.61 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.467 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -168.32 -163.64 22.64 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.528 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.6 t -139.59 160.92 38.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.824 0.345 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.3 t -99.82 129.24 45.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.726 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.428 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 15.3 mtt -134.52 94.8 3.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.399 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.413 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 78.4 t80 49.42 62.89 2.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.032 0.444 . . . . 0.0 111.385 179.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.464 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 5.2 m-85 63.9 17.07 10.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.963 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 35' ' ' MET . 0.4 OUTLIER -111.44 121.83 46.23 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.834 0.35 . . . . 0.0 110.21 179.034 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.1 t -89.9 100.24 13.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.33 -179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.5 tttm -106.69 162.32 13.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.26 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.5 m -92.54 -173.38 3.35 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.996 0.427 . . . . 0.0 111.162 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.152 -0.928 . . . . 0.0 111.05 179.963 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.793 0.33 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.2 t -63.56 -51.43 70.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.488 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.76 25.67 9.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.277 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -115.7 -46.67 2.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.881 0.372 . . . . 0.0 110.768 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.8 t -115.42 143.03 45.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.713 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.64 152.47 25.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.022 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.8 t -135.72 172.11 13.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.641 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.32 -177.14 5.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.687 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.484 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 13.6 tttp -46.55 -46.29 19.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.399 -179.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.433 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.2 OUTLIER 176.68 162.83 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 111.013 179.607 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 115.41 -134.39 11.53 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.817 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -115.98 131.23 57.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.871 0.367 . . . . 0.0 111.306 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -135.35 109.02 7.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.327 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.483 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 13.3 tt0 -45.09 -31.8 1.52 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.662 -179.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.33 -44.01 96.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.821 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.5 t -69.43 -57.49 5.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.091 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.483 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -53.82 -32.22 51.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.064 -179.774 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.403 ' N ' ' HG3' ' A' ' 21' ' ' GLN . 27.8 t70 -69.58 -45.94 67.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.569 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -56.91 -56.01 27.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.01 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.4 t -53.58 -61.43 2.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.597 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' A' ' 26' ' ' ASN . 2.5 pttp -50.61 -30.35 13.15 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.374 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.44 ' N ' ' HG3' ' A' ' 25' ' ' LYS . 2.1 t-20 -80.05 -23.11 41.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.828 0.347 . . . . 0.0 110.847 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.66 -32.88 58.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 139.43 37.1 0.12 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.552 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 61.2 m-70 -140.24 -150.98 0.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.427 0.156 . . . . 0.0 110.673 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -109.66 -49.43 3.1 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.747 0.308 . . . . 0.0 111.039 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -171.32 -157.97 14.32 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.305 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -162.76 -166.41 21.5 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.534 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.2 t -138.13 173.28 11.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.955 0.407 . . . . 0.0 111.043 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.2 t -113.27 126.31 55.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.405 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -135.27 101.37 4.82 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.971 -179.635 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.426 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 83.4 t80 47.06 64.58 1.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 112.015 178.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.484 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 4.4 m-85 62.76 19.46 11.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.833 179.035 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 35' ' ' MET . 3.0 mtpm? -114.1 139.65 49.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.845 0.355 . . . . 0.0 110.383 179.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.5 t -103.19 99.77 9.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.987 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -103.53 166.37 10.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.42 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.0 m -101.07 -172.28 2.14 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 120.968 0.413 . . . . 0.0 110.984 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.239 -0.886 . . . . 1.0 111.057 -179.948 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 94.8 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.724 0.297 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.5 t -50.37 -35.75 12.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.418 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.54 37.59 4.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.2 ttpp -125.75 -50.75 1.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 t -108.38 152.3 24.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -88.32 156.62 19.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.459 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 2.0 t -136.89 171.24 14.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.53 -178.44 5.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.699 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.479 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 28.6 tttt -47.07 -42.83 19.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.75 0.309 . . . . 0.0 111.335 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.429 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 171.42 165.26 0.09 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.953 0.406 . . . . 0.0 110.901 179.557 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.19 -133.75 11.84 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.609 -0.805 . . . . 0.0 113.021 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.445 ' CZ ' ' HG3' ' A' ' 21' ' ' GLN . 3.9 t80 -103.77 139.07 39.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.875 0.369 . . . . 0.0 111.257 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.459 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 1.4 t80 -145.89 110.38 5.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.452 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.78 -32.89 3.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.75 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.429 ' HB2' ' CD2' ' A' ' 17' ' ' TYR . 8.3 mt-10 -63.41 -64.14 0.99 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.078 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.1 t -52.72 -49.18 65.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.006 0.431 . . . . 0.0 110.955 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.445 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 1.1 mm100 -53.15 -54.52 34.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.194 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 61.4 m-20 -59.63 -29.79 68.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.887 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -63.53 -57.69 9.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.238 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.1 t -59.89 -63.29 1.35 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.405 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -41.97 -54.32 3.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.565 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 1.7 t-20 -66.78 -26.55 67.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.741 0.305 . . . . 0.0 111.071 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.27 -31.04 71.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.676 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 137.75 -3.86 3.23 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.952 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 53.9 m-70 -102.71 -147.49 0.37 Allowed 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.704 0.252 . . . . 0.0 110.7 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -107.22 -52.18 2.8 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.786 0.327 . . . . 0.0 111.01 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.408 ' HA3' ' OE1' ' A' ' 21' ' ' GLN . . . -175.46 -163.12 27.83 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.174 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -157.61 -174.39 27.26 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.582 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.3 t -130.72 159.4 37.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.907 0.384 . . . . 0.0 111.037 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.4 t -100.69 123.91 45.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.774 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.4 ' O ' ' CB ' ' A' ' 38' ' ' LYS . 2.4 mmt -131.23 102.9 6.18 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.507 -179.548 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.426 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 92.7 t80 45.37 71.75 0.26 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.907 179.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.479 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 5.0 m-85 55.4 21.32 4.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.924 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.4 ' CB ' ' O ' ' A' ' 35' ' ' MET . 8.5 tttt -114.54 140.35 48.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.802 0.334 . . . . 0.0 110.517 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.6 t -106.29 100.34 9.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.06 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.4 tptt -110.02 163.85 13.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.59 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.1 m -102.54 -171.2 1.92 Allowed 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 120.904 0.383 . . . . 0.0 111.048 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.266 -0.874 . . . . 1.0 111.141 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.4 t . . . . . 0 CA--C 1.528 0.098 0 CA-C-O 120.744 0.307 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.3 t -51.68 -36.47 18.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.302 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.05 36.7 4.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.823 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.62 -55.5 0.95 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 t -91.41 154.54 19.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -84.13 152.3 24.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -133.28 165.69 24.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.477 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.82 -179.11 5.66 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.413 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.447 ' HG2' ' CE2' ' A' ' 14' ' ' TYR . 42.5 tttt -50.69 -42.42 56.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.86 0.362 . . . . 0.0 110.682 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.447 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 172.59 153.68 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.861 179.35 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.47 -145.0 18.26 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.956 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 17' ' ' TYR . 6.0 t80 -95.62 152.68 18.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.808 0.337 . . . . 0.0 111.184 -179.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.453 ' CE2' ' CB ' ' A' ' 19' ' ' GLU . 4.4 t80 -157.5 104.35 2.0 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.604 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -47.29 -32.22 4.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.464 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.453 ' CB ' ' CE2' ' A' ' 17' ' ' TYR . 0.4 OUTLIER -57.28 -61.2 2.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.727 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -55.08 -37.8 67.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.643 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -56.12 22.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.684 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.477 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 1.6 m-20 -55.88 -36.93 68.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.543 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 t -58.83 -61.27 2.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.33 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.44 -58.99 5.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.803 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 26' ' ' ASN . 1.5 pttp -50.43 -33.09 19.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.29 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.477 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 0.9 OUTLIER -76.1 -26.23 56.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.892 0.377 . . . . 0.0 110.487 179.402 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.74 -28.48 60.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.826 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 130.6 34.4 0.45 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.749 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 -140.69 -151.11 0.35 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.545 0.212 . . . . 0.0 110.748 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -103.98 -57.81 1.98 Allowed 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.735 0.302 . . . . 0.0 111.241 -179.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -169.67 -157.31 11.88 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.363 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -164.81 -168.91 27.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.629 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.4 t -140.45 156.29 46.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.776 0.322 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 m -94.26 116.41 28.8 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.643 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.6 mmm -117.2 100.42 7.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.022 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 41.3 t80 49.62 61.49 3.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.967 0.413 . . . . 0.0 111.316 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.432 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 5.5 m-85 64.27 18.56 11.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.775 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.41 137.29 48.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.756 0.313 . . . . 0.0 110.495 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.65 89.46 5.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.249 -179.634 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.25 162.82 13.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.709 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.1 m -104.3 -170.68 1.8 Allowed 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.962 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.297 -0.859 . . . . 0.0 111.127 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.564 0.221 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.468 ' CG1' ' N ' ' A' ' 7' ' ' ASP . 3.8 p -51.31 -45.89 33.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.066 0.46 . . . . 0.0 111.021 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.468 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 3.8 t70 -110.57 30.03 7.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.9 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.09 -65.58 0.98 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.769 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.1 t -90.73 150.7 21.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.746 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -77.23 -165.09 0.53 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.419 ' HA ' ' CE2' ' A' ' 17' ' ' TYR . 2.0 t -174.99 176.23 2.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.567 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.49 -174.66 4.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.724 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.425 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 4.0 ttmt -58.24 -43.46 87.79 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.764 0.316 . . . . 0.0 111.192 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.1 OUTLIER 176.21 153.32 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 111.045 179.898 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 120.24 -134.51 10.46 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.705 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -109.31 133.13 53.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 0.0 111.047 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.419 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 1.4 t80 -133.62 110.77 10.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.573 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.479 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 5.4 tt0 -48.5 -28.47 3.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.47 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -66.34 -40.45 89.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.823 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -71.71 -53.39 13.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.479 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -58.18 -32.2 68.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.846 0.355 . . . . 0.0 111.02 -179.89 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -73.02 -39.16 66.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.579 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -62.81 -58.46 7.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.796 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.6 t -54.17 -55.12 30.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.23 -39.48 30.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.093 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -74.79 -24.55 58.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.063 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.57 -30.03 62.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.969 0.414 . . . . 0.0 110.795 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 134.01 34.67 0.29 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.484 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -140.03 -150.27 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.411 0.148 . . . . 0.0 110.666 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -107.28 -46.77 3.8 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.772 0.32 . . . . 0.0 111.006 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.87 -151.34 10.24 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.507 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -167.51 -162.41 19.25 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.6 t -139.23 165.04 28.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.856 0.36 . . . . 0.0 110.979 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.8 t -105.78 127.7 53.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.746 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.48 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -132.54 92.61 3.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.706 -179.414 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.421 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 74.6 t80 51.93 62.71 2.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.924 0.393 . . . . 0.0 111.785 178.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.425 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 4.0 m-85 65.36 8.42 4.95 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.316 0.488 . . . . 0.0 112.316 179.14 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 35' ' ' MET . 0.0 OUTLIER -105.96 126.32 52.05 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 120.885 0.374 . . . . 0.0 110.206 179.416 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.89 117.74 28.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.507 -179.161 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.61 159.95 28.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.19 179.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.8 m -95.8 -173.08 2.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.053 0.454 . . . . 0.0 111.041 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.245 -0.883 . . . . 1.0 111.089 179.945 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 96.3 m . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.754 0.311 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.7 t -52.34 -31.98 15.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.328 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.4 29.26 8.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -137.39 -58.64 0.69 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.8 t -91.28 112.99 25.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -164.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.2 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.447 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 0.8 OUTLIER -171.45 176.16 3.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.717 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.66 -176.36 4.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.435 ' HG2' ' CE2' ' A' ' 14' ' ' TYR . 72.6 tttt -52.51 -43.26 64.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.171 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.437 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER 178.76 168.34 0.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.952 0.406 . . . . 0.0 111.065 179.7 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.92 -137.48 13.95 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.61 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -113.69 133.04 55.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.895 0.379 . . . . 0.0 110.92 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.447 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 4.0 t80 -130.78 106.27 8.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.429 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.471 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 0.2 OUTLIER -45.87 -30.19 1.63 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.571 -179.526 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.442 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -66.02 -40.9 91.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.87 0.367 . . . . 0.0 110.517 179.801 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.4 t -69.85 -56.35 7.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.865 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.471 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -56.33 -31.49 63.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -68.23 -46.75 69.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.619 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.2 t -58.83 -59.71 5.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.837 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 18.9 t -46.92 -56.25 6.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.299 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.65 -35.63 66.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.774 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.34 -24.51 63.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.078 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.96 -39.75 33.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.823 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 146.36 37.93 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.511 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 -139.51 -150.2 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.444 0.164 . . . . 0.0 110.785 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -114.75 -48.11 2.86 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.681 0.277 . . . . 0.0 111.4 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -175.13 -149.8 7.49 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.468 -0.873 . . . . 0.0 112.393 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 40' ' ' LYS . . . -177.33 -169.49 38.52 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.748 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.5 t -117.86 163.33 16.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.73 0.3 . . . . 0.0 110.72 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 47.5 t -117.93 117.47 29.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.908 0.385 . . . . 0.0 111.304 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.656 ' O ' ' N ' ' A' ' 37' ' ' PHE . 24.8 mtp -102.75 -162.88 0.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.571 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.42 ' O ' ' HB2' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -53.69 70.09 0.0 OUTLIER 'General case' 0 C--O 1.231 0.117 0 CA-C-O 121.396 0.617 . . . . 0.0 111.053 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.656 ' N ' ' O ' ' A' ' 35' ' ' MET . 4.1 m-85 67.24 33.09 5.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.392 -179.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -123.31 133.38 54.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.655 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.4 t -100.75 107.8 19.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.002 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.401 ' O ' ' HA3' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -118.18 156.84 28.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.444 179.64 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 12.4 m -88.27 -174.13 4.5 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 120.998 0.427 . . . . 0.0 111.144 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.291 -0.861 . . . . 1.0 111.092 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.674 0.273 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.459 ' CG1' ' N ' ' A' ' 7' ' ' ASP . 3.3 p -41.1 -45.97 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 CA-C-O 121.027 0.441 . . . . 0.0 111.583 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.459 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 1.1 t0 -116.74 39.97 3.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.795 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -129.9 -46.63 1.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.965 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 t -103.26 149.36 24.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.3 ttm-85 -86.24 152.82 22.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.918 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.435 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 1.6 t -131.22 174.06 10.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.813 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.4 -172.33 3.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.743 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.517 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 0.7 OUTLIER -57.12 -43.21 82.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.411 -179.609 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.436 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.1 OUTLIER 174.16 155.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.922 0.391 . . . . 0.0 111.185 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.75 -136.51 12.81 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.859 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -107.08 126.33 52.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.852 0.358 . . . . 0.0 111.131 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.435 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 1.2 t80 -123.35 112.3 17.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.417 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.482 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 0.5 OUTLIER -51.05 -26.66 6.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.38 -179.649 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.66 -40.65 72.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.767 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -48.15 53.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.071 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.482 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -62.57 -32.0 72.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.834 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.52 -44.84 70.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.743 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -58.45 -61.0 2.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.5 t -51.13 -56.8 10.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.232 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.08 -39.26 41.92 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.971 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.28 -25.75 63.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.943 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.28 -31.47 60.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.783 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 134.89 35.32 0.25 Allowed Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.613 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -137.19 -151.39 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 O-C-N 122.906 -0.173 . . . . 0.0 110.61 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -104.3 -50.8 3.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.732 0.301 . . . . 0.0 111.085 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -174.95 -156.09 13.62 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.535 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.11 170.58 33.83 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.783 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.4 t -112.06 165.45 12.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.895 0.379 . . . . 0.0 110.87 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.3 t -116.21 121.84 43.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.414 ' O ' ' CB ' ' A' ' 38' ' ' LYS . 0.8 OUTLIER -127.96 100.75 6.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.619 -179.617 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.423 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 85.6 t80 43.46 75.85 0.09 Allowed 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 178.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.517 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 3.9 m-85 54.76 20.12 2.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.939 179.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 35' ' ' MET . 8.6 tttm -114.86 134.87 54.79 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.747 0.308 . . . . 0.0 110.176 179.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER -102.75 124.26 47.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.959 0.409 . . . . 0.0 111.305 -179.343 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.95 166.58 23.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.376 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.3 m -92.28 -173.96 3.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.124 0.487 . . . . 0.0 111.104 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.248 -0.882 . . . . 1.0 111.177 179.955 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 57.8 m . . . . . 0 CA--C 1.529 0.143 0 CA-C-O 120.627 0.251 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.7 t -51.03 -40.58 21.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 120.877 0.37 . . . . 0.0 111.401 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.48 -28.2 13.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.93 -65.39 0.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.028 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 t -94.12 145.05 24.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.066 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -89.33 165.28 14.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.439 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 2.4 t -141.77 168.72 19.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.967 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.63 -169.28 2.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.931 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.525 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 1.2 ttpt -47.2 -59.59 3.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.382 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.436 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -177.93 162.0 1.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.01 179.674 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.39 -132.15 10.59 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.648 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -107.45 135.0 49.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.876 0.369 . . . . 0.0 111.106 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.439 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 3.8 t80 -138.59 109.51 6.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.435 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.486 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 0.2 OUTLIER -47.21 -30.4 2.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.596 -179.452 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.427 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 1.9 tt0 -67.03 -45.1 78.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.934 0.397 . . . . 0.0 110.843 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.92 -52.62 34.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.2 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.486 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -58.02 -30.33 66.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.006 -179.834 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.06 -41.39 67.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.595 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -60.11 -60.38 3.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.926 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.3 t -53.76 -55.47 26.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.954 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.09 -42.41 28.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.609 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.19 -27.29 66.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.728 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.57 -32.74 70.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.797 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 141.47 -7.66 2.55 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.64 -0.791 . . . . 0.0 113.09 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -94.7 -146.68 0.26 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.889 0.345 . . . . 0.0 110.781 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -109.35 -45.57 3.7 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.699 0.285 . . . . 0.0 111.213 -179.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -177.19 -157.07 17.37 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.477 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.45 174.52 34.22 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.68 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 t -119.08 161.68 19.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.92 0.39 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.9 t -102.82 126.59 50.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.834 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.406 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 40.3 mtp -132.86 94.02 3.3 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.689 -179.551 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.413 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 78.8 t80 49.01 64.53 1.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.762 179.147 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.525 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 7.4 m-85 62.49 16.73 8.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.019 179.119 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 35' ' ' MET . 15.0 mttt -111.44 125.63 54.08 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 178.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.92 109.94 20.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.416 -179.157 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.98 165.58 13.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.223 179.397 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.1 m -96.83 -172.95 2.58 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 121.03 0.443 . . . . 0.0 111.078 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.28 -0.867 . . . . 0.0 111.123 179.973 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 32.6 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.747 0.308 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.2 t -51.2 -40.88 23.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.867 0.365 . . . . 0.0 111.245 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.25 25.59 9.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.78 -50.54 1.24 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.15 131.24 44.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.6 ttt85 -77.97 153.83 32.1 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -129.55 165.44 21.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.06 178.54 6.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.62 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.443 ' HD3' ' CZ ' ' A' ' 14' ' ' TYR . 15.3 tttt -42.28 -44.0 3.67 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.416 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.443 ' CZ ' ' HD3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER 173.82 160.56 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.963 0.411 . . . . 0.0 111.225 179.352 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.39 -137.27 14.05 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.929 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 17' ' ' TYR . 13.9 t80 -110.35 155.09 22.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 0.0 111.003 -179.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.463 ' CE2' ' CB ' ' A' ' 19' ' ' GLU . 4.4 t80 -159.32 111.08 2.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.478 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.467 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -48.54 -28.36 3.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.532 -179.483 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.463 ' CB ' ' CE2' ' A' ' 17' ' ' TYR . 0.9 OUTLIER -65.63 -51.1 62.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.796 0.332 . . . . 0.0 111.026 -179.883 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.4 t -64.25 -56.14 16.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.948 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.467 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -54.76 -31.25 58.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 -179.877 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.0 -43.81 74.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.718 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.2 t -58.65 -59.27 5.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.858 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.7 t -50.34 -57.07 8.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.101 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.76 -42.32 62.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.223 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -67.87 -25.4 65.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.229 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.3 -34.67 61.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.979 0.418 . . . . 0.0 110.785 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 139.56 35.27 0.14 Allowed Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.633 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -138.16 -151.58 0.39 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.558 0.218 . . . . 0.0 110.623 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -106.67 -49.84 3.24 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.752 0.311 . . . . 0.0 111.148 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 179.99 -150.9 9.5 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.481 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -168.79 -156.87 10.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.475 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.5 t -150.18 152.85 35.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.869 0.366 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.9 m -91.72 119.21 31.36 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.6 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.413 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 5.9 mtt -123.03 106.41 10.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 18.7 t80 47.99 62.72 2.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.625 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.443 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 4.7 m-85 60.72 22.01 11.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.95 179.234 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 35' ' ' MET . 1.6 mtpt -116.64 146.58 42.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.673 0.273 . . . . 0.0 110.31 179.114 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.6 t -108.29 98.6 8.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.936 0.398 . . . . 0.0 111.333 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -106.63 161.69 14.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.406 179.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.3 m -92.1 -173.06 3.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.982 0.42 . . . . 0.0 111.038 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.268 -0.873 . . . . 1.0 111.137 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.528 0.133 0 CA-C-O 120.593 0.235 . . . . 0.0 111.306 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.2 t -46.71 -30.43 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-O 120.841 0.353 . . . . 0.0 111.607 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -125.37 34.91 4.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.61 -59.41 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.7 t -97.23 151.35 19.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.006 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.0 ttt85 -86.79 164.58 16.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.97 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.3 t -141.54 172.39 12.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.777 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.43 -172.53 3.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.976 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.515 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 28.3 tttp -54.63 -41.29 69.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.331 -179.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.421 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.2 OUTLIER 171.68 158.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 0.0 111.061 179.715 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 115.66 -133.99 11.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.871 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -112.58 125.41 54.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.796 0.332 . . . . 0.0 111.142 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -123.04 109.65 14.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.401 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.475 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 0.6 OUTLIER -44.53 -41.37 6.39 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.815 -179.328 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -58.83 -41.69 87.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.885 0.374 . . . . 0.0 110.958 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.39 -55.1 20.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.206 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.475 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -57.02 -29.18 63.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.114 -179.69 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.427 ' N ' ' HG3' ' A' ' 21' ' ' GLN . 1.9 t70 -70.4 -44.11 68.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -61.26 -57.7 11.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.111 0.482 . . . . 0.0 110.847 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.3 t -51.03 -58.16 6.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.321 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.7 ptmm? -52.0 -35.55 47.05 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.28 -25.33 62.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.747 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.38 -32.44 54.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 136.87 36.58 0.18 Allowed Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.633 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -138.53 -152.13 0.41 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.472 0.177 . . . . 0.0 110.726 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -104.23 -55.91 2.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.737 0.303 . . . . 0.0 111.078 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -166.54 -160.44 13.77 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.343 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -151.18 173.84 30.54 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.653 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.1 t -120.69 171.65 8.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.971 0.415 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.5 t -116.69 123.03 46.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.821 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.542 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 70.9 mtp -127.5 89.59 2.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.593 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.423 ' HA ' ' O ' ' A' ' 13' ' ' LYS . 78.0 t80 52.42 60.59 3.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.002 0.43 . . . . 0.0 111.501 179.238 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.515 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 6.3 m-85 71.65 6.93 5.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.327 179.16 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.542 ' HB2' ' O ' ' A' ' 35' ' ' MET . 9.6 mmtt -100.4 125.53 46.69 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.817 0.341 . . . . 0.0 110.334 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.79 99.04 12.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.223 -179.47 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.12 172.18 6.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.424 179.479 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.9 m -101.15 -172.26 2.14 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.057 0.456 . . . . 0.0 111.083 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.222 -0.894 . . . . 1.0 111.002 -179.884 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.4 m . . . . . 0 CA--C 1.528 0.131 0 CA-C-O 120.719 0.295 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.465 ' CG1' ' N ' ' A' ' 7' ' ' ASP . 3.2 p -52.44 -45.43 45.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 121.057 0.456 . . . . 0.0 111.228 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.465 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -97.97 -21.55 16.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.993 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -70.83 -67.28 0.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.719 0.295 . . . . 0.0 110.964 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 t -92.58 151.82 19.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.961 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -91.25 165.63 13.36 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.774 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.478 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 1.7 t -141.15 170.03 16.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.897 0.379 . . . . 0.0 111.108 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.7 -171.83 3.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.787 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.468 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 16.0 tttt -51.98 -42.78 63.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.311 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.43 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.2 OUTLIER 171.66 161.67 0.1 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.848 0.356 . . . . 0.0 111.116 179.802 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 109.01 -158.44 14.6 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.926 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -84.21 114.26 21.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.879 0.371 . . . . 0.0 111.223 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.478 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 2.8 t80 -115.42 97.39 6.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.026 179.154 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -40.71 -32.58 0.22 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.753 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -59.88 -50.17 74.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.963 0.411 . . . . 0.0 110.675 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.63 -41.0 96.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.914 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -46.06 86.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.816 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -63.93 -37.34 87.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.668 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -59.61 -60.11 4.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.3 t -56.18 -54.12 49.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.06 -48.7 33.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.879 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.93 -28.16 69.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.777 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.64 -32.5 72.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.778 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 140.02 -5.01 2.71 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.724 -0.75 . . . . 0.0 113.035 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 -100.48 -147.49 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.831 0.315 . . . . 0.0 110.728 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -109.76 -49.64 3.07 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.665 0.269 . . . . 0.0 111.227 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -174.26 -152.3 8.96 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.588 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -164.19 -165.34 21.25 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.698 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 t -136.25 165.22 26.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.918 0.389 . . . . 0.0 111.064 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.4 t -107.56 124.89 50.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.411 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 0.5 OUTLIER -131.26 92.77 3.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.498 -179.748 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.416 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 79.6 t80 49.56 63.11 2.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.005 0.431 . . . . 0.0 111.365 179.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.468 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 6.1 m-85 65.77 15.32 10.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.836 179.447 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 35' ' ' MET . 25.1 mmmt -105.22 123.54 48.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.839 0.352 . . . . 0.0 110.412 179.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.91 97.98 11.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -106.99 163.11 13.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.488 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.9 m -102.33 -171.62 1.99 Allowed 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 120.963 0.411 . . . . 0.0 110.923 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.222 -0.894 . . . . 1.0 111.096 179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.1 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.68 0.276 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.5 t -42.66 -35.52 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.649 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -119.21 35.91 4.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.772 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.5 ttpp -134.7 -52.69 0.81 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 t -103.24 150.47 23.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -87.15 164.91 16.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.44 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 2.2 t -144.41 170.07 16.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.41 -173.06 3.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.641 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.491 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 53.8 tttt -49.26 -48.61 45.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.726 0.298 . . . . 0.0 111.213 -179.705 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.43 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 172.98 164.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 110.961 179.67 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.31 -133.62 11.7 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.797 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.45 ' CZ ' ' HG3' ' A' ' 21' ' ' GLN . 1.9 t80 -103.27 131.04 50.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.982 0.42 . . . . 0.0 111.214 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.44 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 2.0 t80 -137.23 101.5 4.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.12 179.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -42.79 -34.19 0.89 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.0 -179.219 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.432 ' HB2' ' CD2' ' A' ' 17' ' ' TYR . 15.9 mt-10 -59.44 -57.83 11.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.962 0.411 . . . . 0.0 110.842 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.89 -36.56 74.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.966 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.45 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -59.72 -56.63 19.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.018 -179.901 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.432 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 43.7 m-20 -56.53 -35.24 67.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.959 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.39 -57.47 12.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.294 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.8 t -58.72 -62.92 1.5 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.895 -179.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.7 pttm -44.55 -45.9 9.62 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.857 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 0.7 OUTLIER -71.83 -24.77 61.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 111.043 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.23 -28.97 64.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 132.94 31.74 0.43 Allowed Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.75 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 -139.36 -151.99 0.4 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.581 0.229 . . . . 0.0 110.668 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -103.79 -57.56 2.02 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.797 0.332 . . . . 0.0 111.134 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -164.84 -162.26 15.52 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.215 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.79 176.74 33.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.566 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.4 t -129.14 164.84 22.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.9 t -104.29 132.13 50.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.441 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -137.22 96.62 3.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.642 -179.587 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.4 t80 48.6 65.22 1.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.859 0.361 . . . . 0.0 111.71 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.491 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 6.2 m-85 60.33 18.35 7.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.99 179.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 35' ' ' MET . 0.8 OUTLIER -111.94 132.26 54.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.771 0.319 . . . . 0.0 110.353 179.15 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.93 111.52 22.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.989 -179.475 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.05 163.83 17.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.603 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 m -104.53 -170.43 1.76 Allowed 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.917 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.232 -0.889 . . . . 1.0 111.071 179.963 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 93.1 m . . . . . 0 CA--C 1.529 0.136 0 CA-C-O 120.606 0.241 . . . . 0.0 111.363 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.0 t -53.85 -47.07 64.14 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-O 120.859 0.361 . . . . 0.0 111.331 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -108.77 30.26 6.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 ttpp -131.27 -50.64 1.01 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 t -103.17 109.59 21.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.76 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -54.99 -179.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.292 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.433 ' HA ' ' CE2' ' A' ' 17' ' ' TYR . 2.4 t -160.97 173.22 15.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.628 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.4 -177.7 5.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.693 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.476 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 4.8 tttp -45.89 -45.59 15.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.724 0.297 . . . . 0.0 111.315 -179.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.423 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 172.17 161.97 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.965 179.577 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 109.72 -136.74 13.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.897 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.434 ' CZ ' ' HG3' ' A' ' 21' ' ' GLN . 3.3 t80 -98.05 136.84 37.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 0.0 111.05 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.433 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 2.3 t80 -143.24 110.36 5.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.591 179.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -50.39 -30.65 12.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.359 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.422 ' HB2' ' CD2' ' A' ' 17' ' ' TYR . 1.7 mt-10 -65.22 -52.21 56.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.787 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.0 t -60.13 -51.32 70.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.713 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.434 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 7.5 mm100 -53.0 -52.12 59.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.251 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.408 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 11.9 m-20 -55.5 -40.03 71.21 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.185 -179.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -64.49 -56.27 15.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.303 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.7 t -46.12 -61.67 1.67 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.579 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -53.55 -44.17 69.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.181 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 1.0 OUTLIER -59.77 -27.75 66.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.018 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.23 -32.63 49.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.004 0.431 . . . . 0.0 110.637 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 131.46 38.15 0.28 Allowed Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.178 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -130.77 -153.57 0.57 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -120.68 -39.09 2.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.709 0.29 . . . . 0.0 111.059 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.77 -177.7 45.94 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.977 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -152.87 -161.37 10.24 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 t -144.45 155.91 43.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.995 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.3 t -97.48 128.84 44.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.695 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.473 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 5.5 mmm -137.09 97.83 3.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.679 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.419 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 85.9 t80 49.84 64.52 1.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.983 178.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.476 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 6.2 m-85 62.53 13.31 6.11 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 178.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 35' ' ' MET . 1.6 mttt -110.79 137.36 48.55 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 120.775 0.321 . . . . 0.0 110.212 179.182 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 40.9 t -103.24 112.8 25.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.342 -179.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.9 tttm -118.95 161.44 20.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.306 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.9 m -102.34 -172.55 2.15 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 120.976 0.417 . . . . 0.0 110.941 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.213 -0.898 . . . . 0.0 111.133 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 85.8 m . . . . . 0 CA--C 1.528 0.129 0 CA-C-O 120.653 0.263 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.467 ' CG1' ' N ' ' A' ' 7' ' ' ASP . 3.2 p -53.05 -46.68 54.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 121.043 0.449 . . . . 0.0 111.212 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.467 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 0.7 OUTLIER -94.81 -29.48 14.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.973 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.46 -56.35 5.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.988 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.9 t -95.57 144.52 25.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.971 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -92.59 166.46 12.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.846 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.469 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 2.0 t -144.53 169.26 18.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.95 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.43 -171.83 3.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.834 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.503 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 24.1 tttt -48.28 -49.38 33.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.399 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.436 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 176.12 164.25 0.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.947 0.403 . . . . 0.0 111.168 179.759 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.11 -156.7 16.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.762 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -83.66 120.5 26.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.011 0.434 . . . . 0.0 111.359 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.469 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 5.4 t80 -123.92 97.96 5.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.985 179.034 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -40.73 -31.5 0.16 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.937 -179.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.73 -49.48 74.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.911 0.386 . . . . 0.0 110.73 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.09 -41.78 85.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.074 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -47.42 84.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.16 -38.93 93.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.73 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -59.13 -60.37 3.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.146 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.0 t -51.95 -59.24 4.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.34 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.77 -39.73 18.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.21 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.38 -24.68 61.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.037 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.49 -31.03 62.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.012 0.434 . . . . 0.0 110.783 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 133.56 35.03 0.29 Allowed Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.571 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -138.41 -150.56 0.34 Allowed 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 120.451 0.167 . . . . 0.0 110.677 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -107.3 -53.95 2.55 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.758 0.313 . . . . 0.0 111.036 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -168.73 -158.61 12.89 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.33 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -157.91 -174.5 27.7 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.656 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 t -133.62 161.9 33.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.91 0.386 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.4 t -103.76 123.56 47.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.773 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.2 mmt -130.38 97.36 4.39 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.622 -179.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.433 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 89.5 t80 45.32 73.15 0.17 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.911 179.175 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.503 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 7.7 m-30 53.94 20.88 2.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.976 179.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.8 tttp -116.16 127.41 54.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.79 0.329 . . . . 0.0 110.285 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.85 113.8 25.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.194 -179.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.32 163.91 18.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.502 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.0 m -101.66 -171.54 2.0 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 120.9 0.381 . . . . 0.0 110.863 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.207 -0.901 . . . . 1.0 111.088 -179.954 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 59.8 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.774 0.321 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.5 t -48.3 -29.19 2.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.528 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -114.14 -27.27 7.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.187 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -68.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.195 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -77.13 159.21 29.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.192 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -99.25 147.31 25.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.73 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.94 161.0 25.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.023 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.96 -174.93 4.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.43 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.471 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -48.07 -51.75 23.08 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.909 0.385 . . . . 0.0 111.257 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.416 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 177.16 148.52 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.966 179.501 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.77 -144.31 16.3 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.604 -0.807 . . . . 0.0 112.906 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.458 ' CD1' ' N ' ' A' ' 17' ' ' TYR . 8.9 t80 -91.33 152.66 20.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 111.203 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.458 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 1.7 t80 -161.25 113.43 1.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.609 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -53.51 -27.82 27.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.51 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -63.4 -65.39 0.69 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.94 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.8 t -52.49 -47.27 66.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.123 0.487 . . . . 0.0 110.638 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.435 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 6.5 mm100 -52.32 -55.7 19.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.232 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.403 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 1.2 m-20 -59.0 -39.0 80.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.209 -179.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -58.42 -57.43 12.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.043 0.449 . . . . 0.0 111.268 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.0 t -53.91 -62.48 1.63 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.681 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.2 ptmm? -47.51 -37.25 11.61 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.703 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 0.7 OUTLIER -75.93 -24.11 55.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.811 0.339 . . . . 0.0 111.043 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.0 -31.56 63.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 135.27 34.7 0.25 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.529 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -142.42 -150.84 0.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.521 0.2 . . . . 0.0 110.642 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -107.36 -51.78 2.86 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.734 0.302 . . . . 0.0 110.984 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 179.86 -152.22 10.72 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.447 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -175.88 -150.22 7.92 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.534 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 t -151.83 159.13 43.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.873 0.368 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.7 m -93.82 115.19 27.58 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.604 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.448 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 24.8 mtp -116.51 103.04 10.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.325 -179.615 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.422 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 79.7 t80 48.52 65.25 1.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.943 0.401 . . . . 0.0 111.882 179.15 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.471 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 8.5 m-85 60.53 17.55 7.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.283 178.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 35' ' ' MET . 2.7 tttm -115.45 142.22 47.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.713 0.292 . . . . 0.0 110.244 179.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.0 t -101.2 97.99 8.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.868 0.366 . . . . 0.0 111.116 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -103.69 153.17 20.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.76 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.5 m -98.01 -172.21 2.32 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.967 0.413 . . . . 0.0 110.937 -179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.289 -0.863 . . . . 1.0 111.138 -179.971 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 81.4 m . . . . . 0 CA--C 1.529 0.162 0 CA-C-O 120.635 0.255 . . . . 0.0 111.313 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.7 t -50.97 -34.87 14.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.795 0.331 . . . . 0.0 111.391 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -124.66 34.01 5.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -134.54 -46.38 0.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.004 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.15 119.59 39.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.05 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 tpt85 -62.51 156.5 22.76 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.283 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.438 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 1.8 t -136.1 173.54 11.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.685 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.39 -174.77 4.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.593 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.48 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -50.79 -46.98 59.87 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.396 -179.713 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.49 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER 173.54 153.47 0.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.903 0.382 . . . . 0.0 111.121 179.926 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.94 -133.61 10.55 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.912 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.428 ' CZ ' ' HG3' ' A' ' 21' ' ' GLN . 4.2 t80 -102.36 134.27 45.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.872 0.367 . . . . 0.0 111.167 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.438 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 1.6 t80 -138.02 112.67 8.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.534 179.578 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.82 -35.93 34.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.683 -179.42 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -61.15 -57.19 13.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.18 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.4 t -55.0 -50.81 68.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.005 0.431 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.428 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 5.1 mm100 -52.33 -54.79 27.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.341 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.48 -38.95 78.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.19 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.23 -58.86 6.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.365 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.8 t -53.31 -60.91 2.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.653 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.6 ptmm? -47.97 -36.13 12.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.279 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.73 -26.18 59.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.745 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.71 -33.15 70.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.647 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.33 -9.46 2.18 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.666 -0.778 . . . . 0.0 113.046 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 -96.47 -146.93 0.29 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.854 0.327 . . . . 0.0 110.771 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -112.67 -47.79 3.05 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.745 0.307 . . . . 0.0 111.28 -179.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.24 -155.92 14.17 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.373 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -168.87 -154.51 9.03 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.723 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 t -146.18 163.05 36.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 0.0 111.031 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.8 t -99.26 128.97 45.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.427 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 1.6 mtt -135.32 96.23 3.44 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.574 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.432 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 91.6 t80 47.17 67.72 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.938 0.399 . . . . 0.0 111.695 179.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.48 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 5.1 m-85 59.42 18.89 7.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.069 179.222 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 35' ' ' MET . 1.7 mtpt -115.37 123.09 47.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.819 0.342 . . . . 0.0 110.265 179.079 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.3 t -89.77 100.94 13.65 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 -179.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 40.2 tptt -105.47 157.74 17.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.528 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.0 m -101.34 -171.77 2.05 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 120.947 0.403 . . . . 0.0 110.978 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.333 -0.841 . . . . 0.0 111.134 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.172 0 N-CA-C 111.611 0.226 . . . . 0.0 111.611 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.2 t -71.82 -30.92 39.38 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 120.807 0.337 . . . . 0.0 111.1 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -123.12 31.19 6.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.66 -56.85 1.57 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.821 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 t -97.76 156.38 16.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.0 ttt180 -86.63 163.46 17.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.425 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 1.8 t -142.77 173.46 11.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.65 -178.37 5.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.81 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.486 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -51.43 -47.31 63.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.405 -179.792 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.468 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER 177.76 151.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.871 0.367 . . . . 0.0 110.98 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.57 -134.01 9.78 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.717 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -109.23 133.96 52.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.961 0.41 . . . . 0.0 111.106 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.43 ' CD2' ' HB2' ' A' ' 19' ' ' GLU . 1.9 t80 -132.98 108.88 9.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.471 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.48 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 0.9 OUTLIER -47.71 -30.46 3.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.599 -179.443 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.43 ' HB2' ' CD2' ' A' ' 17' ' ' TYR . 0.6 OUTLIER -65.91 -45.76 80.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.824 0.345 . . . . 0.0 110.819 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.8 t -67.63 -54.47 19.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.187 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.48 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -56.32 -31.47 63.74 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.859 0.362 . . . . 0.0 111.166 -179.885 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -70.31 -43.89 69.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -58.95 -56.41 22.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.163 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.8 t -54.79 -57.56 11.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.548 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.1 -50.45 58.74 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.139 -179.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -62.78 -25.42 68.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.178 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.56 -33.23 64.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.776 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 138.43 34.28 0.18 Allowed Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.593 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 -139.76 -152.78 0.43 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.526 0.203 . . . . 0.0 110.593 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -105.07 -50.03 3.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.762 0.315 . . . . 0.0 111.015 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -179.33 -152.23 10.45 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.354 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -163.82 -168.92 26.59 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.569 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 t -133.48 159.62 39.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.38 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.6 t -104.91 127.31 52.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.806 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.417 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -132.79 98.77 4.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.46 -179.656 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.415 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 8.6 t80 49.74 61.77 2.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.957 0.408 . . . . 0.0 111.28 179.326 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.486 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 6.7 m-85 66.45 16.17 10.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.851 179.444 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 35' ' ' MET . 0.5 OUTLIER -105.02 139.08 40.23 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 179.145 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.4 t -109.99 96.29 6.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.245 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 ttpp -108.28 164.15 12.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.212 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.4 m -92.49 -173.0 3.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.984 0.421 . . . . 0.0 110.961 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.269 -0.872 . . . . 1.0 111.07 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.819 0.343 . . . . 1.0 111.191 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -148.45 47.63 1.04 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.59 -74.52 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.93 95.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.991 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 92.0 m -65.26 -25.44 67.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.4 t -53.23 -42.83 48.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.339 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -105.71 25.71 10.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.041 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.53 -53.62 1.01 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.801 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 t -95.5 123.95 39.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.0 ttt85 -64.89 -165.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.433 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 2.8 t -176.73 173.09 2.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.751 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.41 -178.46 5.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.844 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.465 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 20.7 tttt -46.88 -48.7 21.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.423 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.417 ' CZ ' ' HD3' ' A' ' 13' ' ' LYS . 0.3 OUTLIER 176.78 161.41 0.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.963 0.411 . . . . 0.0 111.001 179.824 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.59 -135.19 11.36 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.675 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -113.19 116.91 30.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.807 0.337 . . . . 0.0 111.104 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.461 ' CE2' ' CB ' ' A' ' 19' ' ' GLU . 5.9 t80 -117.61 106.64 13.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.391 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.498 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 9.7 tt0 -46.73 -29.47 1.93 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.756 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.461 ' CB ' ' CE2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -65.58 -45.37 83.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.922 0.391 . . . . 0.0 110.688 179.904 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.0 t -66.7 -56.53 10.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.074 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.498 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -54.4 -31.52 55.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.084 -179.778 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.72 -44.13 70.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.648 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -58.19 -60.15 4.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.0 t -50.24 -57.88 6.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.123 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.21 -39.3 43.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.238 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.14 -24.21 61.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.163 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.43 -33.85 60.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.909 0.385 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 140.04 35.85 0.12 Allowed Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.623 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -139.04 -151.88 0.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 110.604 -0.147 . . . . 0.0 110.604 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -106.49 -44.7 4.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.792 0.33 . . . . 0.0 111.067 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 176.97 -151.54 11.26 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.414 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -167.08 -166.27 25.88 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.2 t -135.74 168.21 19.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 110.974 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.4 t -106.92 128.27 54.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.713 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.428 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -135.62 100.13 4.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.53 -179.548 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.422 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 83.0 t80 47.69 67.08 0.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.887 0.375 . . . . 0.0 111.764 179.102 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.465 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 5.2 m-85 58.93 18.97 6.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.042 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 35' ' ' MET . 28.2 mtpt -113.8 139.41 49.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.817 0.341 . . . . 0.0 110.275 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.3 t -103.51 106.22 16.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.337 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.7 tttm -112.25 162.59 15.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.279 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.2 m -92.75 -173.36 3.3 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.003 0.43 . . . . 0.0 111.039 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.205 -0.902 . . . . 1.0 111.093 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.779 0.323 . . . . 1.0 111.207 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 47.1 ttp180 -178.53 107.78 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.834 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -69.48 -71.05 0.24 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.4 t 58.27 93.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.9 t -85.44 -19.24 31.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.281 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.0 t -49.52 -46.97 20.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.796 0.331 . . . . 0.0 111.457 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -94.51 -24.92 17.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.065 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -65.52 -66.36 0.56 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.082 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 t -89.55 162.71 15.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.077 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -93.22 -164.92 1.24 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.019 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.438 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 1.9 t -170.13 174.22 5.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.792 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.6 -178.61 5.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.723 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.492 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 6.2 ttmt -50.14 -44.99 52.71 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.741 0.305 . . . . 0.0 111.544 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.408 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 174.35 156.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.043 179.833 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.35 -134.07 11.16 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.76 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -107.93 131.66 54.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.837 0.351 . . . . 0.0 111.068 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.438 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 1.7 t80 -130.9 109.07 10.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.518 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.463 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 1.7 tp60 -49.65 -30.38 8.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.408 -179.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.85 -40.47 87.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.914 0.388 . . . . 0.0 110.711 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.9 t -71.2 -55.42 8.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.012 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.463 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -55.2 -33.3 62.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.012 -179.883 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -69.41 -46.24 67.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.71 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.98 -55.8 30.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.4 t -52.89 -60.17 3.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.593 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -52.6 -29.37 25.48 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.234 -179.589 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.421 ' N ' ' HG3' ' A' ' 25' ' ' LYS . 1.1 t-20 -79.23 -23.62 43.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.857 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.04 -32.06 50.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.821 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 137.05 37.78 0.16 Allowed Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.562 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -141.47 -150.64 0.32 Allowed 'General case' 0 C--N 1.33 -0.246 0 O-C-N 122.866 -0.196 . . . . 0.0 110.688 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -110.5 -52.02 2.82 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.723 0.297 . . . . 0.0 111.101 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -173.5 -152.16 8.66 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.435 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -170.11 -155.59 10.34 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.554 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 t -144.57 164.6 30.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.843 0.354 . . . . 0.0 110.981 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.2 t -107.69 128.76 54.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.784 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.443 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 8.8 mmm -134.41 100.25 4.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.545 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.418 ' CG ' ' O ' ' A' ' 36' ' ' PHE . 8.8 t80 48.4 63.13 2.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.009 0.433 . . . . 0.0 111.636 179.23 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.492 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 7.0 m-85 65.0 17.23 11.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.046 179.187 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 35' ' ' MET . 9.7 mtpt -109.26 139.13 44.59 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.813 0.34 . . . . 0.0 110.24 178.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 40.6 t -108.13 98.18 7.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.324 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -106.34 162.87 13.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.312 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 7.1 m -98.04 -172.62 2.4 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 120.891 0.377 . . . . 0.0 111.131 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.161 -0.923 . . . . 0.0 111.068 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.804 0.335 . . . . 1.0 111.136 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.8 ttt-85 -177.97 107.33 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.91 -71.55 0.5 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 m 56.86 100.54 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.052 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.2 t -75.37 -21.02 58.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.063 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.4 t -49.17 -54.33 6.06 Favored 'Isoleucine or valine' 0 C--O 1.231 0.13 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.428 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.83 -28.68 24.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.964 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -66.26 -66.25 0.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.982 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.2 t -86.03 153.26 22.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.046 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -87.2 -164.82 1.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.009 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.43 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 2.6 t -172.66 173.08 4.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.681 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.45 178.86 6.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.793 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.465 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 43.8 tttm -46.32 -44.72 16.98 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.367 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.42 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER 174.52 166.54 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.916 0.389 . . . . 0.0 111.077 179.433 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.83 -133.89 11.82 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.705 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -107.16 137.88 44.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.891 0.377 . . . . 0.0 111.045 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.43 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 0.7 OUTLIER -134.47 107.82 7.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.496 179.725 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.45 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 0.9 OUTLIER -45.63 -37.45 5.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.606 -179.528 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -62.91 -46.24 88.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.844 0.354 . . . . 0.0 111.005 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.34 -52.87 63.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.191 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.45 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 4.3 pt20 -55.8 -35.25 66.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.835 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.432 ' N ' ' HG3' ' A' ' 21' ' ' GLN . 26.3 t0 -67.1 -36.38 81.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -68.31 -62.24 1.49 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.185 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.411 ' SG ' ' HB2' ' A' ' 29' ' ' HIS . 6.8 t -47.31 -49.82 23.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.709 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.78 -49.75 67.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.41 179.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.69 -25.75 60.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.835 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.42 -31.79 48.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.615 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 129.84 38.27 0.33 Allowed Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.367 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.411 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 74.4 m-70 -134.95 -148.34 0.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.357 0.122 . . . . 0.0 110.971 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -119.05 -38.07 3.11 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-O 120.627 0.251 . . . . 0.0 111.295 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 175.19 -151.88 12.76 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.374 -0.917 . . . . 0.0 112.5 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -171.73 -163.66 26.04 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.575 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.0 t -131.73 163.0 29.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.933 0.397 . . . . 0.0 111.039 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.1 t -109.63 125.23 52.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.802 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.436 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -130.32 99.11 4.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.543 -179.605 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.419 ' CG ' ' O ' ' A' ' 36' ' ' PHE . 22.8 t80 49.07 61.87 2.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.977 0.418 . . . . 0.0 111.46 179.226 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.465 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 6.9 m-85 67.15 15.98 10.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.007 179.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 35' ' ' MET . 12.2 mmtt -103.17 140.36 37.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.75 0.31 . . . . 0.0 110.216 178.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -107.38 91.99 3.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.401 -179.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -102.13 161.63 13.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.318 179.432 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.3 m -95.74 -173.11 2.77 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.013 0.435 . . . . 0.0 111.12 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.216 -0.897 . . . . 0.0 111.178 179.914 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.814 0.34 . . . . 1.0 111.16 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.9 mtp-105 -134.95 50.7 2.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -59.61 -68.84 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.935 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.03 103.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.7 t -74.36 -14.86 60.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.317 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.9 t -51.29 -32.4 12.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.789 0.328 . . . . 0.0 111.405 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -117.49 31.34 6.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.0 -51.75 1.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.996 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.0 t -104.86 127.54 52.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.153 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -164.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.257 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.446 ' HA ' ' CE2' ' A' ' 17' ' ' TYR . 2.4 t -174.57 173.32 2.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.451 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.54 -174.91 4.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.651 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.464 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -53.27 -43.34 67.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.792 0.33 . . . . 0.0 111.097 -179.741 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.43 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 171.54 160.47 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.927 0.394 . . . . 0.0 111.005 179.621 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.1 -133.66 11.56 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.918 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -99.59 143.52 29.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.896 0.379 . . . . 0.0 111.256 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.446 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 3.1 t80 -153.38 101.7 2.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.373 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.462 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 10.4 tt0 -47.76 -29.2 2.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.614 -179.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -63.99 -48.35 76.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.97 0.414 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.5 t -66.24 -56.37 11.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.159 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.462 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -55.27 -32.26 62.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.234 -179.651 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.401 ' N ' ' HG3' ' A' ' 21' ' ' GLN . 32.7 t70 -68.25 -45.37 73.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.69 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -58.42 -61.78 2.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.987 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.5 t -47.86 -55.58 9.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.053 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.85 -31.9 60.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.963 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -75.57 -23.63 56.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.174 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.77 -47.01 19.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.912 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 156.44 38.05 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.319 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 -140.34 -150.94 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.414 0.15 . . . . 0.0 110.765 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -110.48 -40.28 4.67 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.769 0.319 . . . . 0.0 111.04 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 174.62 -150.71 11.61 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.467 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -168.32 -163.64 22.64 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.528 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.6 t -139.59 160.92 38.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.824 0.345 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.3 t -99.82 129.24 45.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.726 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.428 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 15.3 mtt -134.52 94.8 3.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.399 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.413 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 78.4 t80 49.42 62.89 2.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.032 0.444 . . . . 0.0 111.385 179.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.464 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 5.2 m-85 63.9 17.07 10.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.963 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 35' ' ' MET . 0.4 OUTLIER -111.44 121.83 46.23 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.834 0.35 . . . . 0.0 110.21 179.034 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.1 t -89.9 100.24 13.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.33 -179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.5 tttm -106.69 162.32 13.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.26 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.5 m -92.54 -173.38 3.35 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.996 0.427 . . . . 0.0 111.162 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.152 -0.928 . . . . 0.0 111.05 179.963 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.839 0.352 . . . . 1.0 111.173 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.9 mtp180 -116.65 60.93 0.73 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.4 -30.52 11.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 74.2 m -114.01 26.86 9.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.153 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.0 t 55.3 24.39 6.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.176 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.2 t -63.56 -51.43 70.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.488 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.76 25.67 9.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.277 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -115.7 -46.67 2.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.881 0.372 . . . . 0.0 110.768 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.8 t -115.42 143.03 45.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.713 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.64 152.47 25.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.022 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.8 t -135.72 172.11 13.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.641 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.32 -177.14 5.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.687 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.484 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 13.6 tttp -46.55 -46.29 19.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.399 -179.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.433 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.2 OUTLIER 176.68 162.83 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 111.013 179.607 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 115.41 -134.39 11.53 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.817 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -115.98 131.23 57.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.871 0.367 . . . . 0.0 111.306 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -135.35 109.02 7.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.327 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.483 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 13.3 tt0 -45.09 -31.8 1.52 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.662 -179.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.33 -44.01 96.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.821 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.5 t -69.43 -57.49 5.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.091 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.483 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -53.82 -32.22 51.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.064 -179.774 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.403 ' N ' ' HG3' ' A' ' 21' ' ' GLN . 27.8 t70 -69.58 -45.94 67.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.569 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -56.91 -56.01 27.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.01 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.4 t -53.58 -61.43 2.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.597 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' A' ' 26' ' ' ASN . 2.5 pttp -50.61 -30.35 13.15 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.374 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.44 ' N ' ' HG3' ' A' ' 25' ' ' LYS . 2.1 t-20 -80.05 -23.11 41.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.828 0.347 . . . . 0.0 110.847 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.66 -32.88 58.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 139.43 37.1 0.12 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.552 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 61.2 m-70 -140.24 -150.98 0.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.427 0.156 . . . . 0.0 110.673 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -109.66 -49.43 3.1 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.747 0.308 . . . . 0.0 111.039 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -171.32 -157.97 14.32 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.305 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -162.76 -166.41 21.5 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.534 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.2 t -138.13 173.28 11.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.955 0.407 . . . . 0.0 111.043 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.2 t -113.27 126.31 55.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.405 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -135.27 101.37 4.82 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.971 -179.635 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.426 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 83.4 t80 47.06 64.58 1.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 112.015 178.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.484 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 4.4 m-85 62.76 19.46 11.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.833 179.035 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 35' ' ' MET . 3.0 mtpm? -114.1 139.65 49.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.845 0.355 . . . . 0.0 110.383 179.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.5 t -103.19 99.77 9.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.987 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -103.53 166.37 10.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.42 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.0 m -101.07 -172.28 2.14 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 120.968 0.413 . . . . 0.0 110.984 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.239 -0.886 . . . . 1.0 111.057 -179.948 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.803 0.335 . . . . 1.0 111.249 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -179.24 107.75 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.24 -79.27 0.61 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.801 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.4 m 51.23 91.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.111 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 94.8 m -60.37 -29.1 68.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.5 t -50.37 -35.75 12.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.418 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.54 37.59 4.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.2 ttpp -125.75 -50.75 1.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 t -108.38 152.3 24.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -88.32 156.62 19.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.459 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 2.0 t -136.89 171.24 14.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.53 -178.44 5.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.699 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.479 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 28.6 tttt -47.07 -42.83 19.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.75 0.309 . . . . 0.0 111.335 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.429 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 171.42 165.26 0.09 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.953 0.406 . . . . 0.0 110.901 179.557 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.19 -133.75 11.84 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.609 -0.805 . . . . 0.0 113.021 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.445 ' CZ ' ' HG3' ' A' ' 21' ' ' GLN . 3.9 t80 -103.77 139.07 39.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.875 0.369 . . . . 0.0 111.257 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.459 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 1.4 t80 -145.89 110.38 5.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.452 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.78 -32.89 3.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.75 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.429 ' HB2' ' CD2' ' A' ' 17' ' ' TYR . 8.3 mt-10 -63.41 -64.14 0.99 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.078 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.1 t -52.72 -49.18 65.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.006 0.431 . . . . 0.0 110.955 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.445 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 1.1 mm100 -53.15 -54.52 34.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.194 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 61.4 m-20 -59.63 -29.79 68.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.887 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -63.53 -57.69 9.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.238 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.1 t -59.89 -63.29 1.35 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.405 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -41.97 -54.32 3.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.565 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 1.7 t-20 -66.78 -26.55 67.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.741 0.305 . . . . 0.0 111.071 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.27 -31.04 71.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.676 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 137.75 -3.86 3.23 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.952 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 53.9 m-70 -102.71 -147.49 0.37 Allowed 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.704 0.252 . . . . 0.0 110.7 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -107.22 -52.18 2.8 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.786 0.327 . . . . 0.0 111.01 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.408 ' HA3' ' OE1' ' A' ' 21' ' ' GLN . . . -175.46 -163.12 27.83 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.174 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -157.61 -174.39 27.26 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.582 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.3 t -130.72 159.4 37.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.907 0.384 . . . . 0.0 111.037 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.4 t -100.69 123.91 45.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.774 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.4 ' O ' ' CB ' ' A' ' 38' ' ' LYS . 2.4 mmt -131.23 102.9 6.18 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.507 -179.548 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.426 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 92.7 t80 45.37 71.75 0.26 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.907 179.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.479 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 5.0 m-85 55.4 21.32 4.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.924 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.4 ' CB ' ' O ' ' A' ' 35' ' ' MET . 8.5 tttt -114.54 140.35 48.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.802 0.334 . . . . 0.0 110.517 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.6 t -106.29 100.34 9.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.06 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.4 tptt -110.02 163.85 13.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.59 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.1 m -102.54 -171.2 1.92 Allowed 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 120.904 0.383 . . . . 0.0 111.048 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.266 -0.874 . . . . 1.0 111.141 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.2 t0 . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.83 0.347 . . . . 1.0 111.114 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -111.07 37.06 2.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -85.07 -71.64 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.7 p 50.03 84.94 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.4 t -63.42 -26.41 68.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.3 t -51.68 -36.47 18.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.302 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.05 36.7 4.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.823 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.62 -55.5 0.95 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 t -91.41 154.54 19.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -84.13 152.3 24.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -133.28 165.69 24.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.477 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.82 -179.11 5.66 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.413 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.447 ' HG2' ' CE2' ' A' ' 14' ' ' TYR . 42.5 tttt -50.69 -42.42 56.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.86 0.362 . . . . 0.0 110.682 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.447 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 172.59 153.68 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.861 179.35 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.47 -145.0 18.26 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.956 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 17' ' ' TYR . 6.0 t80 -95.62 152.68 18.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.808 0.337 . . . . 0.0 111.184 -179.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.453 ' CE2' ' CB ' ' A' ' 19' ' ' GLU . 4.4 t80 -157.5 104.35 2.0 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.604 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -47.29 -32.22 4.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.464 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.453 ' CB ' ' CE2' ' A' ' 17' ' ' TYR . 0.4 OUTLIER -57.28 -61.2 2.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.727 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -55.08 -37.8 67.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.643 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -56.12 22.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.684 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.477 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 1.6 m-20 -55.88 -36.93 68.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.543 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 t -58.83 -61.27 2.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.33 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.44 -58.99 5.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.803 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 26' ' ' ASN . 1.5 pttp -50.43 -33.09 19.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.29 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.477 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 0.9 OUTLIER -76.1 -26.23 56.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.892 0.377 . . . . 0.0 110.487 179.402 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.74 -28.48 60.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.826 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 130.6 34.4 0.45 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.749 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 -140.69 -151.11 0.35 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.545 0.212 . . . . 0.0 110.748 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -103.98 -57.81 1.98 Allowed 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.735 0.302 . . . . 0.0 111.241 -179.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -169.67 -157.31 11.88 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.363 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -164.81 -168.91 27.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.629 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.4 t -140.45 156.29 46.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.776 0.322 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 m -94.26 116.41 28.8 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.643 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.6 mmm -117.2 100.42 7.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.022 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 41.3 t80 49.62 61.49 3.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.967 0.413 . . . . 0.0 111.316 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.432 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 5.5 m-85 64.27 18.56 11.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.775 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.41 137.29 48.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.756 0.313 . . . . 0.0 110.495 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.65 89.46 5.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.249 -179.634 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.25 162.82 13.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.709 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.1 m -104.3 -170.68 1.8 Allowed 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.962 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.297 -0.859 . . . . 0.0 111.127 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 120.807 0.337 . . . . 1.0 111.151 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 52.99 93.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.078 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -81.57 -73.37 0.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.5 m 54.39 82.39 0.09 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.98 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -59.21 -20.93 58.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.071 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.468 ' CG1' ' N ' ' A' ' 7' ' ' ASP . 3.8 p -51.31 -45.89 33.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.066 0.46 . . . . 0.0 111.021 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.468 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 3.8 t70 -110.57 30.03 7.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.9 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.09 -65.58 0.98 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.769 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.1 t -90.73 150.7 21.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.746 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -77.23 -165.09 0.53 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.419 ' HA ' ' CE2' ' A' ' 17' ' ' TYR . 2.0 t -174.99 176.23 2.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.567 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.49 -174.66 4.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.724 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.425 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 4.0 ttmt -58.24 -43.46 87.79 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.764 0.316 . . . . 0.0 111.192 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.1 OUTLIER 176.21 153.32 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 111.045 179.898 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 120.24 -134.51 10.46 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.705 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -109.31 133.13 53.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 0.0 111.047 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.419 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 1.4 t80 -133.62 110.77 10.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.573 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.479 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 5.4 tt0 -48.5 -28.47 3.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.47 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -66.34 -40.45 89.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.823 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -71.71 -53.39 13.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.479 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -58.18 -32.2 68.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.846 0.355 . . . . 0.0 111.02 -179.89 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -73.02 -39.16 66.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.579 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -62.81 -58.46 7.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.796 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.6 t -54.17 -55.12 30.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.23 -39.48 30.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.093 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -74.79 -24.55 58.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.063 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.57 -30.03 62.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.969 0.414 . . . . 0.0 110.795 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 134.01 34.67 0.29 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.484 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -140.03 -150.27 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.411 0.148 . . . . 0.0 110.666 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -107.28 -46.77 3.8 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.772 0.32 . . . . 0.0 111.006 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.87 -151.34 10.24 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.507 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -167.51 -162.41 19.25 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.6 t -139.23 165.04 28.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.856 0.36 . . . . 0.0 110.979 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.8 t -105.78 127.7 53.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.746 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.48 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -132.54 92.61 3.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.706 -179.414 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.421 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 74.6 t80 51.93 62.71 2.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.924 0.393 . . . . 0.0 111.785 178.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.425 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 4.0 m-85 65.36 8.42 4.95 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.316 0.488 . . . . 0.0 112.316 179.14 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 35' ' ' MET . 0.0 OUTLIER -105.96 126.32 52.05 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 120.885 0.374 . . . . 0.0 110.206 179.416 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.89 117.74 28.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.507 -179.161 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.61 159.95 28.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.19 179.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.8 m -95.8 -173.08 2.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.053 0.454 . . . . 0.0 111.041 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.245 -0.883 . . . . 1.0 111.089 179.945 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.7 t0 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.794 0.33 . . . . 1.0 111.176 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 58.5 32.05 21.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.965 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -59.07 -70.06 0.17 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 m 55.63 99.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.955 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 96.3 m -59.58 -27.77 66.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.968 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.7 t -52.34 -31.98 15.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.328 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.4 29.26 8.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -137.39 -58.64 0.69 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.8 t -91.28 112.99 25.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -164.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.2 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.447 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 0.8 OUTLIER -171.45 176.16 3.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.717 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.66 -176.36 4.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.435 ' HG2' ' CE2' ' A' ' 14' ' ' TYR . 72.6 tttt -52.51 -43.26 64.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.171 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.437 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER 178.76 168.34 0.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.952 0.406 . . . . 0.0 111.065 179.7 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.92 -137.48 13.95 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.61 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -113.69 133.04 55.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.895 0.379 . . . . 0.0 110.92 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.447 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 4.0 t80 -130.78 106.27 8.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.429 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.471 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 0.2 OUTLIER -45.87 -30.19 1.63 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.571 -179.526 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.442 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -66.02 -40.9 91.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.87 0.367 . . . . 0.0 110.517 179.801 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.4 t -69.85 -56.35 7.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.865 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.471 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -56.33 -31.49 63.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -68.23 -46.75 69.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.619 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.2 t -58.83 -59.71 5.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.837 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 18.9 t -46.92 -56.25 6.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.299 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.65 -35.63 66.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.774 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.34 -24.51 63.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.078 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.96 -39.75 33.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.823 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 146.36 37.93 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.511 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 -139.51 -150.2 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.444 0.164 . . . . 0.0 110.785 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -114.75 -48.11 2.86 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.681 0.277 . . . . 0.0 111.4 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -175.13 -149.8 7.49 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.468 -0.873 . . . . 0.0 112.393 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 40' ' ' LYS . . . -177.33 -169.49 38.52 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.748 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.5 t -117.86 163.33 16.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.73 0.3 . . . . 0.0 110.72 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 47.5 t -117.93 117.47 29.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.908 0.385 . . . . 0.0 111.304 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.656 ' O ' ' N ' ' A' ' 37' ' ' PHE . 24.8 mtp -102.75 -162.88 0.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.571 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.42 ' O ' ' HB2' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -53.69 70.09 0.0 OUTLIER 'General case' 0 C--O 1.231 0.117 0 CA-C-O 121.396 0.617 . . . . 0.0 111.053 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.656 ' N ' ' O ' ' A' ' 35' ' ' MET . 4.1 m-85 67.24 33.09 5.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.392 -179.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -123.31 133.38 54.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.655 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.4 t -100.75 107.8 19.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.002 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.401 ' O ' ' HA3' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -118.18 156.84 28.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.444 179.64 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 12.4 m -88.27 -174.13 4.5 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 120.998 0.427 . . . . 0.0 111.144 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.291 -0.861 . . . . 1.0 111.092 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.817 0.341 . . . . 1.0 111.121 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.24 32.13 3.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.44 -82.5 0.43 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.003 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.8 m 53.04 66.23 1.29 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.901 0.382 . . . . 0.0 111.025 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.49 -28.33 69.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.082 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.459 ' CG1' ' N ' ' A' ' 7' ' ' ASP . 3.3 p -41.1 -45.97 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 CA-C-O 121.027 0.441 . . . . 0.0 111.583 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.459 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 1.1 t0 -116.74 39.97 3.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.795 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -129.9 -46.63 1.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.965 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 t -103.26 149.36 24.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.3 ttm-85 -86.24 152.82 22.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.918 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.435 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 1.6 t -131.22 174.06 10.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.813 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.4 -172.33 3.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.743 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.517 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 0.7 OUTLIER -57.12 -43.21 82.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.411 -179.609 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.436 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.1 OUTLIER 174.16 155.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.922 0.391 . . . . 0.0 111.185 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.75 -136.51 12.81 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.859 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -107.08 126.33 52.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.852 0.358 . . . . 0.0 111.131 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.435 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 1.2 t80 -123.35 112.3 17.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.417 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.482 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 0.5 OUTLIER -51.05 -26.66 6.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.38 -179.649 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.66 -40.65 72.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.767 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -48.15 53.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.071 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.482 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -62.57 -32.0 72.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.834 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.52 -44.84 70.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.743 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -58.45 -61.0 2.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.5 t -51.13 -56.8 10.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.232 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.08 -39.26 41.92 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.971 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.28 -25.75 63.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.943 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.28 -31.47 60.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.783 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 134.89 35.32 0.25 Allowed Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.613 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -137.19 -151.39 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 O-C-N 122.906 -0.173 . . . . 0.0 110.61 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -104.3 -50.8 3.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.732 0.301 . . . . 0.0 111.085 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -174.95 -156.09 13.62 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.535 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.11 170.58 33.83 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.783 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.4 t -112.06 165.45 12.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.895 0.379 . . . . 0.0 110.87 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.3 t -116.21 121.84 43.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.414 ' O ' ' CB ' ' A' ' 38' ' ' LYS . 0.8 OUTLIER -127.96 100.75 6.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.619 -179.617 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.423 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 85.6 t80 43.46 75.85 0.09 Allowed 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 178.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.517 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 3.9 m-85 54.76 20.12 2.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.939 179.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 35' ' ' MET . 8.6 tttm -114.86 134.87 54.79 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.747 0.308 . . . . 0.0 110.176 179.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER -102.75 124.26 47.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.959 0.409 . . . . 0.0 111.305 -179.343 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.95 166.58 23.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.376 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.3 m -92.28 -173.96 3.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.124 0.487 . . . . 0.0 111.104 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.248 -0.882 . . . . 1.0 111.177 179.955 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.852 0.358 . . . . 1.0 111.112 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -158.96 98.05 1.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.23 -81.65 0.31 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.69 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 65.8 m 53.06 97.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.15 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 57.8 m -64.12 -16.92 62.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.109 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.7 t -51.03 -40.58 21.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 120.877 0.37 . . . . 0.0 111.401 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.48 -28.2 13.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.93 -65.39 0.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.028 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 t -94.12 145.05 24.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.066 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -89.33 165.28 14.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.439 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 2.4 t -141.77 168.72 19.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.967 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.63 -169.28 2.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.931 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.525 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 1.2 ttpt -47.2 -59.59 3.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.382 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.436 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -177.93 162.0 1.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.01 179.674 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.39 -132.15 10.59 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.648 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -107.45 135.0 49.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.876 0.369 . . . . 0.0 111.106 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.439 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 3.8 t80 -138.59 109.51 6.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.435 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.486 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 0.2 OUTLIER -47.21 -30.4 2.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.596 -179.452 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.427 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 1.9 tt0 -67.03 -45.1 78.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.934 0.397 . . . . 0.0 110.843 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.92 -52.62 34.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.2 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.486 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -58.02 -30.33 66.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.006 -179.834 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.06 -41.39 67.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.595 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -60.11 -60.38 3.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.926 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.3 t -53.76 -55.47 26.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.954 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.09 -42.41 28.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.609 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.19 -27.29 66.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.728 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.57 -32.74 70.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.797 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 141.47 -7.66 2.55 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.64 -0.791 . . . . 0.0 113.09 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -94.7 -146.68 0.26 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.889 0.345 . . . . 0.0 110.781 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -109.35 -45.57 3.7 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.699 0.285 . . . . 0.0 111.213 -179.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -177.19 -157.07 17.37 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.477 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.45 174.52 34.22 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.68 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 t -119.08 161.68 19.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.92 0.39 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.9 t -102.82 126.59 50.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.834 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.406 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 40.3 mtp -132.86 94.02 3.3 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.689 -179.551 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.413 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 78.8 t80 49.01 64.53 1.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.762 179.147 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.525 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 7.4 m-85 62.49 16.73 8.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.019 179.119 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 35' ' ' MET . 15.0 mttt -111.44 125.63 54.08 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 178.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.92 109.94 20.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.416 -179.157 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.98 165.58 13.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.223 179.397 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.1 m -96.83 -172.95 2.58 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 121.03 0.443 . . . . 0.0 111.078 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.28 -0.867 . . . . 0.0 111.123 179.973 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.768 0.318 . . . . 1.0 111.264 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 17.7 mtp85 -148.96 51.42 0.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.81 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.78 -76.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.9 m 54.59 85.71 0.06 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.064 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 32.6 m -65.14 -27.68 68.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.972 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.2 t -51.2 -40.88 23.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.867 0.365 . . . . 0.0 111.245 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.25 25.59 9.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.78 -50.54 1.24 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.15 131.24 44.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.6 ttt85 -77.97 153.83 32.1 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -129.55 165.44 21.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.06 178.54 6.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.62 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.443 ' HD3' ' CZ ' ' A' ' 14' ' ' TYR . 15.3 tttt -42.28 -44.0 3.67 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.416 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.443 ' CZ ' ' HD3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER 173.82 160.56 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.963 0.411 . . . . 0.0 111.225 179.352 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.39 -137.27 14.05 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.929 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 17' ' ' TYR . 13.9 t80 -110.35 155.09 22.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 0.0 111.003 -179.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.463 ' CE2' ' CB ' ' A' ' 19' ' ' GLU . 4.4 t80 -159.32 111.08 2.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.478 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.467 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -48.54 -28.36 3.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.532 -179.483 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.463 ' CB ' ' CE2' ' A' ' 17' ' ' TYR . 0.9 OUTLIER -65.63 -51.1 62.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.796 0.332 . . . . 0.0 111.026 -179.883 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.4 t -64.25 -56.14 16.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.948 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.467 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -54.76 -31.25 58.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 -179.877 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.0 -43.81 74.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.718 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.2 t -58.65 -59.27 5.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.858 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.7 t -50.34 -57.07 8.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.101 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.76 -42.32 62.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.223 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -67.87 -25.4 65.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.229 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.3 -34.67 61.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.979 0.418 . . . . 0.0 110.785 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 139.56 35.27 0.14 Allowed Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.633 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -138.16 -151.58 0.39 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.558 0.218 . . . . 0.0 110.623 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -106.67 -49.84 3.24 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.752 0.311 . . . . 0.0 111.148 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 179.99 -150.9 9.5 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.481 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -168.79 -156.87 10.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.475 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.5 t -150.18 152.85 35.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.869 0.366 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.9 m -91.72 119.21 31.36 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.6 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.413 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 5.9 mtt -123.03 106.41 10.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 18.7 t80 47.99 62.72 2.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.625 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.443 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 4.7 m-85 60.72 22.01 11.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.95 179.234 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 35' ' ' MET . 1.6 mtpt -116.64 146.58 42.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.673 0.273 . . . . 0.0 110.31 179.114 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.6 t -108.29 98.6 8.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.936 0.398 . . . . 0.0 111.333 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -106.63 161.69 14.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.406 179.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.3 m -92.1 -173.06 3.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.982 0.42 . . . . 0.0 111.038 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.268 -0.873 . . . . 1.0 111.137 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.815 0.34 . . . . 1.0 111.234 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.4 tpm_? 64.14 108.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.07 -76.29 0.37 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.747 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.82 102.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.76 -15.62 63.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.306 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.2 t -46.71 -30.43 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-O 120.841 0.353 . . . . 0.0 111.607 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -125.37 34.91 4.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.61 -59.41 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.7 t -97.23 151.35 19.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.006 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.0 ttt85 -86.79 164.58 16.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.97 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.3 t -141.54 172.39 12.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.777 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.43 -172.53 3.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.976 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.515 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 28.3 tttp -54.63 -41.29 69.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.331 -179.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.421 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.2 OUTLIER 171.68 158.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 0.0 111.061 179.715 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 115.66 -133.99 11.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.871 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -112.58 125.41 54.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.796 0.332 . . . . 0.0 111.142 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -123.04 109.65 14.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.401 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.475 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 0.6 OUTLIER -44.53 -41.37 6.39 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.815 -179.328 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -58.83 -41.69 87.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.885 0.374 . . . . 0.0 110.958 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.39 -55.1 20.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.206 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.475 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -57.02 -29.18 63.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.114 -179.69 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.427 ' N ' ' HG3' ' A' ' 21' ' ' GLN . 1.9 t70 -70.4 -44.11 68.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -61.26 -57.7 11.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.111 0.482 . . . . 0.0 110.847 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.3 t -51.03 -58.16 6.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.321 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.7 ptmm? -52.0 -35.55 47.05 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.28 -25.33 62.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.747 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.38 -32.44 54.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 136.87 36.58 0.18 Allowed Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.633 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -138.53 -152.13 0.41 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.472 0.177 . . . . 0.0 110.726 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -104.23 -55.91 2.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.737 0.303 . . . . 0.0 111.078 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -166.54 -160.44 13.77 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.343 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -151.18 173.84 30.54 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.653 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.1 t -120.69 171.65 8.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.971 0.415 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.5 t -116.69 123.03 46.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.821 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.542 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 70.9 mtp -127.5 89.59 2.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.593 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.423 ' HA ' ' O ' ' A' ' 13' ' ' LYS . 78.0 t80 52.42 60.59 3.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.002 0.43 . . . . 0.0 111.501 179.238 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.515 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 6.3 m-85 71.65 6.93 5.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.327 179.16 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.542 ' HB2' ' O ' ' A' ' 35' ' ' MET . 9.6 mmtt -100.4 125.53 46.69 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.817 0.341 . . . . 0.0 110.334 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.79 99.04 12.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.223 -179.47 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.12 172.18 6.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.424 179.479 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.9 m -101.15 -172.26 2.14 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.057 0.456 . . . . 0.0 111.083 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.222 -0.894 . . . . 1.0 111.002 -179.884 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.766 0.317 . . . . 1.0 111.154 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.1 tpp180 -178.14 107.38 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -82.03 -74.0 0.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 54.62 90.88 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.116 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.4 m -71.64 -13.49 61.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.256 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.465 ' CG1' ' N ' ' A' ' 7' ' ' ASP . 3.2 p -52.44 -45.43 45.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 121.057 0.456 . . . . 0.0 111.228 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.465 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -97.97 -21.55 16.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.993 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -70.83 -67.28 0.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.719 0.295 . . . . 0.0 110.964 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 t -92.58 151.82 19.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.961 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -91.25 165.63 13.36 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.774 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.478 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 1.7 t -141.15 170.03 16.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.897 0.379 . . . . 0.0 111.108 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.7 -171.83 3.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.787 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.468 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 16.0 tttt -51.98 -42.78 63.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.311 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.43 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.2 OUTLIER 171.66 161.67 0.1 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.848 0.356 . . . . 0.0 111.116 179.802 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 109.01 -158.44 14.6 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.926 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -84.21 114.26 21.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.879 0.371 . . . . 0.0 111.223 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.478 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 2.8 t80 -115.42 97.39 6.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.026 179.154 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -40.71 -32.58 0.22 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.753 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -59.88 -50.17 74.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.963 0.411 . . . . 0.0 110.675 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.63 -41.0 96.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.914 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -46.06 86.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.816 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -63.93 -37.34 87.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.668 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -59.61 -60.11 4.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.3 t -56.18 -54.12 49.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.06 -48.7 33.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.879 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.93 -28.16 69.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.777 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.64 -32.5 72.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.778 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 140.02 -5.01 2.71 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.724 -0.75 . . . . 0.0 113.035 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 -100.48 -147.49 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.831 0.315 . . . . 0.0 110.728 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -109.76 -49.64 3.07 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.665 0.269 . . . . 0.0 111.227 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -174.26 -152.3 8.96 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.588 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -164.19 -165.34 21.25 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.698 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 t -136.25 165.22 26.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.918 0.389 . . . . 0.0 111.064 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.4 t -107.56 124.89 50.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.411 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 0.5 OUTLIER -131.26 92.77 3.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.498 -179.748 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.416 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 79.6 t80 49.56 63.11 2.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.005 0.431 . . . . 0.0 111.365 179.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.468 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 6.1 m-85 65.77 15.32 10.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.836 179.447 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 35' ' ' MET . 25.1 mmmt -105.22 123.54 48.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.839 0.352 . . . . 0.0 110.412 179.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.91 97.98 11.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -106.99 163.11 13.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.488 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.9 m -102.33 -171.62 1.99 Allowed 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 120.963 0.411 . . . . 0.0 110.923 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.222 -0.894 . . . . 1.0 111.096 179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.842 0.353 . . . . 1.0 111.177 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 -98.4 37.45 1.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.746 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.61 -73.22 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.989 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.9 t -175.05 -108.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.979 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.1 t -175.36 -32.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.07 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.5 t -42.66 -35.52 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.649 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -119.21 35.91 4.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.772 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.5 ttpp -134.7 -52.69 0.81 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 t -103.24 150.47 23.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -87.15 164.91 16.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.44 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 2.2 t -144.41 170.07 16.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.41 -173.06 3.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.641 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.491 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 53.8 tttt -49.26 -48.61 45.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.726 0.298 . . . . 0.0 111.213 -179.705 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.43 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 172.98 164.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 110.961 179.67 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.31 -133.62 11.7 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.797 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.45 ' CZ ' ' HG3' ' A' ' 21' ' ' GLN . 1.9 t80 -103.27 131.04 50.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.982 0.42 . . . . 0.0 111.214 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.44 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 2.0 t80 -137.23 101.5 4.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.12 179.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -42.79 -34.19 0.89 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.0 -179.219 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.432 ' HB2' ' CD2' ' A' ' 17' ' ' TYR . 15.9 mt-10 -59.44 -57.83 11.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.962 0.411 . . . . 0.0 110.842 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.89 -36.56 74.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.966 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.45 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -59.72 -56.63 19.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.018 -179.901 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.432 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 43.7 m-20 -56.53 -35.24 67.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.959 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.39 -57.47 12.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.294 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.8 t -58.72 -62.92 1.5 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.895 -179.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.7 pttm -44.55 -45.9 9.62 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.857 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 0.7 OUTLIER -71.83 -24.77 61.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 111.043 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.23 -28.97 64.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 132.94 31.74 0.43 Allowed Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.75 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 -139.36 -151.99 0.4 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.581 0.229 . . . . 0.0 110.668 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -103.79 -57.56 2.02 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.797 0.332 . . . . 0.0 111.134 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -164.84 -162.26 15.52 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.215 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.79 176.74 33.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.566 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.4 t -129.14 164.84 22.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.9 t -104.29 132.13 50.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.441 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -137.22 96.62 3.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.642 -179.587 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.4 t80 48.6 65.22 1.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.859 0.361 . . . . 0.0 111.71 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.491 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 6.2 m-85 60.33 18.35 7.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.99 179.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 35' ' ' MET . 0.8 OUTLIER -111.94 132.26 54.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.771 0.319 . . . . 0.0 110.353 179.15 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.93 111.52 22.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.989 -179.475 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.05 163.83 17.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.603 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 m -104.53 -170.43 1.76 Allowed 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.917 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.232 -0.889 . . . . 1.0 111.071 179.963 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.808 0.337 . . . . 1.0 111.174 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -177.36 107.36 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.805 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.53 -71.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.954 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.2 m 60.15 92.32 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 93.1 m -69.03 -12.68 61.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.363 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.0 t -53.85 -47.07 64.14 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-O 120.859 0.361 . . . . 0.0 111.331 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -108.77 30.26 6.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 ttpp -131.27 -50.64 1.01 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 t -103.17 109.59 21.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.76 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -54.99 -179.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.292 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.433 ' HA ' ' CE2' ' A' ' 17' ' ' TYR . 2.4 t -160.97 173.22 15.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.628 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.4 -177.7 5.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.693 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.476 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 4.8 tttp -45.89 -45.59 15.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.724 0.297 . . . . 0.0 111.315 -179.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.423 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 172.17 161.97 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.965 179.577 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 109.72 -136.74 13.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.897 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.434 ' CZ ' ' HG3' ' A' ' 21' ' ' GLN . 3.3 t80 -98.05 136.84 37.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 0.0 111.05 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.433 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 2.3 t80 -143.24 110.36 5.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.591 179.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -50.39 -30.65 12.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.359 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.422 ' HB2' ' CD2' ' A' ' 17' ' ' TYR . 1.7 mt-10 -65.22 -52.21 56.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.787 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.0 t -60.13 -51.32 70.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.713 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.434 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 7.5 mm100 -53.0 -52.12 59.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.251 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.408 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 11.9 m-20 -55.5 -40.03 71.21 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.185 -179.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -64.49 -56.27 15.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.303 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.7 t -46.12 -61.67 1.67 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.579 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -53.55 -44.17 69.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.181 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 1.0 OUTLIER -59.77 -27.75 66.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.018 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.23 -32.63 49.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.004 0.431 . . . . 0.0 110.637 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 131.46 38.15 0.28 Allowed Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.178 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -130.77 -153.57 0.57 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -120.68 -39.09 2.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.709 0.29 . . . . 0.0 111.059 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.77 -177.7 45.94 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.977 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -152.87 -161.37 10.24 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 t -144.45 155.91 43.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.995 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.3 t -97.48 128.84 44.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.695 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.473 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 5.5 mmm -137.09 97.83 3.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.679 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.419 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 85.9 t80 49.84 64.52 1.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.983 178.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.476 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 6.2 m-85 62.53 13.31 6.11 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 178.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 35' ' ' MET . 1.6 mttt -110.79 137.36 48.55 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 120.775 0.321 . . . . 0.0 110.212 179.182 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 40.9 t -103.24 112.8 25.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.342 -179.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.9 tttm -118.95 161.44 20.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.306 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.9 m -102.34 -172.55 2.15 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 120.976 0.417 . . . . 0.0 110.941 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.213 -0.898 . . . . 0.0 111.133 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.5 t0 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.734 0.302 . . . . 1.0 111.227 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 24.4 mtp180 56.92 103.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.989 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.13 -69.58 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.517 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 m 57.22 96.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.95 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 85.8 m -73.67 -16.82 61.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.224 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.467 ' CG1' ' N ' ' A' ' 7' ' ' ASP . 3.2 p -53.05 -46.68 54.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 121.043 0.449 . . . . 0.0 111.212 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.467 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 0.7 OUTLIER -94.81 -29.48 14.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.973 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.46 -56.35 5.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.988 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.9 t -95.57 144.52 25.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.971 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -92.59 166.46 12.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.846 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.469 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 2.0 t -144.53 169.26 18.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.95 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.43 -171.83 3.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.834 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.503 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 24.1 tttt -48.28 -49.38 33.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.399 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.436 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 176.12 164.25 0.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.947 0.403 . . . . 0.0 111.168 179.759 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.11 -156.7 16.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.762 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -83.66 120.5 26.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.011 0.434 . . . . 0.0 111.359 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.469 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 5.4 t80 -123.92 97.96 5.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.985 179.034 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -40.73 -31.5 0.16 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.937 -179.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.73 -49.48 74.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.911 0.386 . . . . 0.0 110.73 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.09 -41.78 85.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.074 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -47.42 84.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.16 -38.93 93.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.73 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -59.13 -60.37 3.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.146 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.0 t -51.95 -59.24 4.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.34 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.77 -39.73 18.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.21 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.38 -24.68 61.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.037 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.49 -31.03 62.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.012 0.434 . . . . 0.0 110.783 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 133.56 35.03 0.29 Allowed Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.571 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -138.41 -150.56 0.34 Allowed 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 120.451 0.167 . . . . 0.0 110.677 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -107.3 -53.95 2.55 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.758 0.313 . . . . 0.0 111.036 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -168.73 -158.61 12.89 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.33 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -157.91 -174.5 27.7 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.656 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 t -133.62 161.9 33.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.91 0.386 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.4 t -103.76 123.56 47.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.773 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.2 mmt -130.38 97.36 4.39 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.622 -179.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.433 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 89.5 t80 45.32 73.15 0.17 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.911 179.175 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.503 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 7.7 m-30 53.94 20.88 2.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.976 179.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.8 tttp -116.16 127.41 54.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.79 0.329 . . . . 0.0 110.285 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.85 113.8 25.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.194 -179.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.32 163.91 18.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.502 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.0 m -101.66 -171.54 2.0 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 120.9 0.381 . . . . 0.0 110.863 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.207 -0.901 . . . . 1.0 111.088 -179.954 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.828 0.347 . . . . 1.0 111.117 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.67 113.82 0.05 Allowed 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 121.29 0.567 . . . . 0.0 110.795 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.53 -69.8 0.14 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.058 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.5 t 60.18 91.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 59.8 m -59.56 -25.29 64.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.5 t -48.3 -29.19 2.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.528 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -114.14 -27.27 7.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.187 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -68.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.195 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -77.13 159.21 29.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.192 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -99.25 147.31 25.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.73 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.94 161.0 25.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.023 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.96 -174.93 4.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.43 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.471 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -48.07 -51.75 23.08 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.909 0.385 . . . . 0.0 111.257 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.416 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 177.16 148.52 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.966 179.501 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.77 -144.31 16.3 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.604 -0.807 . . . . 0.0 112.906 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.458 ' CD1' ' N ' ' A' ' 17' ' ' TYR . 8.9 t80 -91.33 152.66 20.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 111.203 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.458 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 1.7 t80 -161.25 113.43 1.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.609 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -53.51 -27.82 27.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.51 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -63.4 -65.39 0.69 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.94 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.8 t -52.49 -47.27 66.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.123 0.487 . . . . 0.0 110.638 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.435 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 6.5 mm100 -52.32 -55.7 19.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.232 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.403 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 1.2 m-20 -59.0 -39.0 80.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.209 -179.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -58.42 -57.43 12.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.043 0.449 . . . . 0.0 111.268 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.0 t -53.91 -62.48 1.63 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.681 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.2 ptmm? -47.51 -37.25 11.61 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.703 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 0.7 OUTLIER -75.93 -24.11 55.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.811 0.339 . . . . 0.0 111.043 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.0 -31.56 63.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 135.27 34.7 0.25 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.529 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -142.42 -150.84 0.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.521 0.2 . . . . 0.0 110.642 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -107.36 -51.78 2.86 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.734 0.302 . . . . 0.0 110.984 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 179.86 -152.22 10.72 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.447 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -175.88 -150.22 7.92 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.534 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 t -151.83 159.13 43.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.873 0.368 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.7 m -93.82 115.19 27.58 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.604 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.448 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 24.8 mtp -116.51 103.04 10.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.325 -179.615 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.422 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 79.7 t80 48.52 65.25 1.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.943 0.401 . . . . 0.0 111.882 179.15 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.471 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 8.5 m-85 60.53 17.55 7.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.283 178.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 35' ' ' MET . 2.7 tttm -115.45 142.22 47.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.713 0.292 . . . . 0.0 110.244 179.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.0 t -101.2 97.99 8.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.868 0.366 . . . . 0.0 111.116 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -103.69 153.17 20.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.76 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.5 m -98.01 -172.21 2.32 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.967 0.413 . . . . 0.0 110.937 -179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.289 -0.863 . . . . 1.0 111.138 -179.971 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.724 0.297 . . . . 1.0 111.155 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? -179.49 108.92 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.633 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.69 -78.75 0.22 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.752 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.1 t 56.57 72.03 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.98 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 81.4 m -64.62 -17.86 64.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.313 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.7 t -50.97 -34.87 14.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.795 0.331 . . . . 0.0 111.391 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -124.66 34.01 5.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -134.54 -46.38 0.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.004 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.15 119.59 39.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.05 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 tpt85 -62.51 156.5 22.76 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.283 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.438 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 1.8 t -136.1 173.54 11.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.685 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.39 -174.77 4.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.593 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.48 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -50.79 -46.98 59.87 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.396 -179.713 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.49 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER 173.54 153.47 0.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.903 0.382 . . . . 0.0 111.121 179.926 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.94 -133.61 10.55 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.912 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.428 ' CZ ' ' HG3' ' A' ' 21' ' ' GLN . 4.2 t80 -102.36 134.27 45.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.872 0.367 . . . . 0.0 111.167 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.438 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 1.6 t80 -138.02 112.67 8.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.534 179.578 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.82 -35.93 34.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.683 -179.42 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -61.15 -57.19 13.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.18 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.4 t -55.0 -50.81 68.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.005 0.431 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.428 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 5.1 mm100 -52.33 -54.79 27.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.341 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.48 -38.95 78.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.19 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.23 -58.86 6.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.365 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.8 t -53.31 -60.91 2.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.653 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.6 ptmm? -47.97 -36.13 12.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.279 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.73 -26.18 59.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.745 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.71 -33.15 70.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.647 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.33 -9.46 2.18 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.666 -0.778 . . . . 0.0 113.046 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 -96.47 -146.93 0.29 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.854 0.327 . . . . 0.0 110.771 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -112.67 -47.79 3.05 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.745 0.307 . . . . 0.0 111.28 -179.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.24 -155.92 14.17 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.373 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -168.87 -154.51 9.03 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.723 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 t -146.18 163.05 36.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 0.0 111.031 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.8 t -99.26 128.97 45.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.427 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 1.6 mtt -135.32 96.23 3.44 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.574 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.432 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 91.6 t80 47.17 67.72 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.938 0.399 . . . . 0.0 111.695 179.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.48 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 5.1 m-85 59.42 18.89 7.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.069 179.222 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 35' ' ' MET . 1.7 mtpt -115.37 123.09 47.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.819 0.342 . . . . 0.0 110.265 179.079 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.3 t -89.77 100.94 13.65 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 -179.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 40.2 tptt -105.47 157.74 17.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.528 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.0 m -101.34 -171.77 2.05 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 120.947 0.403 . . . . 0.0 110.978 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.333 -0.841 . . . . 0.0 111.134 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.816 0.341 . . . . 1.0 111.235 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.57 32.63 5.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.76 -44.14 85.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.008 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 57.43 23.8 9.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 72.29 5.3 5.25 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.611 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.2 t -71.82 -30.92 39.38 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 120.807 0.337 . . . . 0.0 111.1 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -123.12 31.19 6.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.66 -56.85 1.57 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.821 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 t -97.76 156.38 16.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.0 ttt180 -86.63 163.46 17.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.425 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 1.8 t -142.77 173.46 11.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.65 -178.37 5.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.81 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.486 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -51.43 -47.31 63.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.405 -179.792 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.468 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER 177.76 151.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.871 0.367 . . . . 0.0 110.98 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.57 -134.01 9.78 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.717 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -109.23 133.96 52.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.961 0.41 . . . . 0.0 111.106 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.43 ' CD2' ' HB2' ' A' ' 19' ' ' GLU . 1.9 t80 -132.98 108.88 9.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.471 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.48 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 0.9 OUTLIER -47.71 -30.46 3.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.599 -179.443 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.43 ' HB2' ' CD2' ' A' ' 17' ' ' TYR . 0.6 OUTLIER -65.91 -45.76 80.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.824 0.345 . . . . 0.0 110.819 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.8 t -67.63 -54.47 19.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.187 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.48 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -56.32 -31.47 63.74 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.859 0.362 . . . . 0.0 111.166 -179.885 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -70.31 -43.89 69.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -58.95 -56.41 22.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.163 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.8 t -54.79 -57.56 11.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.548 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.1 -50.45 58.74 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.139 -179.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -62.78 -25.42 68.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.178 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.56 -33.23 64.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.776 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 138.43 34.28 0.18 Allowed Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.593 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 -139.76 -152.78 0.43 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.526 0.203 . . . . 0.0 110.593 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -105.07 -50.03 3.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.762 0.315 . . . . 0.0 111.015 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -179.33 -152.23 10.45 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.354 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -163.82 -168.92 26.59 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.569 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 t -133.48 159.62 39.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.38 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.6 t -104.91 127.31 52.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.806 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.417 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -132.79 98.77 4.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.46 -179.656 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.415 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 8.6 t80 49.74 61.77 2.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.957 0.408 . . . . 0.0 111.28 179.326 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.486 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 6.7 m-85 66.45 16.17 10.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.851 179.444 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 35' ' ' MET . 0.5 OUTLIER -105.02 139.08 40.23 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 179.145 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.4 t -109.99 96.29 6.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.245 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 ttpp -108.28 164.15 12.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.212 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.4 m -92.49 -173.0 3.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.984 0.421 . . . . 0.0 110.961 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.269 -0.872 . . . . 1.0 111.07 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 92.0 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.767 0.318 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.8 HG22 ' O ' ' A' ' 39' ' ' CYS . 12.4 t -53.23 -42.83 48.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.339 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -105.71 25.71 10.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.041 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.53 -53.62 1.01 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.801 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 t -95.5 123.95 39.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.0 ttt85 -64.89 -165.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.443 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 2.8 t -176.73 173.09 2.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.751 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.41 -178.46 5.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.844 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.467 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 20.7 tttt -46.88 -48.7 21.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.423 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.409 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.3 OUTLIER 176.78 161.41 0.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.963 0.411 . . . . 0.0 111.001 179.824 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.59 -135.19 11.36 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.675 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -113.19 116.91 30.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.807 0.337 . . . . 0.0 111.104 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.461 ' CE2' ' CB ' ' A' ' 19' ' ' GLU . 5.9 t80 -117.61 106.64 13.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.391 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.545 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 9.7 tt0 -46.73 -29.47 1.93 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.756 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.461 ' CB ' ' CE2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -65.58 -45.37 83.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.922 0.391 . . . . 0.0 110.688 179.904 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.0 t -66.7 -56.53 10.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.074 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.545 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -54.4 -31.52 55.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.084 -179.778 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.72 -44.13 70.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.648 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -58.19 -60.15 4.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.0 t -50.24 -57.88 6.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.123 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.21 -39.3 43.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.238 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.14 -24.21 61.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.163 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.43 -33.85 60.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.909 0.385 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 140.04 35.85 0.12 Allowed Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.623 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -139.04 -151.88 0.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 110.604 -0.147 . . . . 0.0 110.604 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -106.49 -44.7 4.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.792 0.33 . . . . 0.0 111.067 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 176.97 -151.54 11.26 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.414 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -167.08 -166.27 25.88 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.2 t -135.74 168.21 19.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 110.974 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.4 t -106.92 128.27 54.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.713 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.421 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -135.62 100.13 4.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.53 -179.548 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.422 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 83.0 t80 47.69 67.08 0.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.887 0.375 . . . . 0.0 111.764 179.102 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.467 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 5.2 m-85 58.93 18.97 6.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.042 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 35' ' ' MET . 28.2 mtpt -113.8 139.41 49.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.817 0.341 . . . . 0.0 110.275 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.8 ' O ' HG22 ' A' ' 6' ' ' VAL . 48.3 t -103.51 106.22 16.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.337 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.7 tttm -112.25 162.59 15.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.279 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.2 m -92.75 -173.36 3.3 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.003 0.43 . . . . 0.0 111.039 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.205 -0.902 . . . . 1.0 111.093 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.9 t . . . . . 0 CA--C 1.528 0.105 0 CA-C-O 120.647 0.261 . . . . 0.0 111.281 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.779 HG22 ' O ' ' A' ' 39' ' ' CYS . 15.0 t -49.52 -46.97 20.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.796 0.331 . . . . 0.0 111.457 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -94.51 -24.92 17.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.065 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -65.52 -66.36 0.56 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.082 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 t -89.55 162.71 15.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.077 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -93.22 -164.92 1.24 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.019 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.449 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 1.9 t -170.13 174.22 5.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.792 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.6 -178.61 5.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.723 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.488 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 6.2 ttmt -50.14 -44.99 52.71 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.741 0.305 . . . . 0.0 111.544 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.411 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 174.35 156.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.043 179.833 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.35 -134.07 11.16 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.76 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -107.93 131.66 54.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.837 0.351 . . . . 0.0 111.068 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.449 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 1.7 t80 -130.9 109.07 10.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.518 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.502 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 1.7 tp60 -49.65 -30.38 8.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.408 -179.614 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.85 -40.47 87.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.914 0.388 . . . . 0.0 110.711 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.9 t -71.2 -55.42 8.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.012 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.502 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -55.2 -33.3 62.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.012 -179.883 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.408 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 20.5 t70 -69.41 -46.24 67.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.71 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.98 -55.8 30.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.4 t -52.89 -60.17 3.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.593 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -52.6 -29.37 25.48 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.234 -179.589 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.42 ' N ' ' HG3' ' A' ' 25' ' ' LYS . 1.1 t-20 -79.23 -23.62 43.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.857 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.04 -32.06 50.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.821 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 137.05 37.78 0.16 Allowed Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.562 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -141.47 -150.64 0.32 Allowed 'General case' 0 C--N 1.33 -0.246 0 O-C-N 122.866 -0.196 . . . . 0.0 110.688 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -110.5 -52.02 2.82 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.723 0.297 . . . . 0.0 111.101 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -173.5 -152.16 8.66 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.435 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -170.11 -155.59 10.34 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.554 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 t -144.57 164.6 30.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.843 0.354 . . . . 0.0 110.981 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.2 t -107.69 128.76 54.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.784 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.436 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 8.8 mmm -134.41 100.25 4.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.545 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.418 ' CG ' ' O ' ' A' ' 36' ' ' PHE . 8.8 t80 48.4 63.13 2.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.009 0.433 . . . . 0.0 111.636 179.23 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.488 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 7.0 m-85 65.0 17.23 11.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.046 179.187 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 35' ' ' MET . 9.7 mtpt -109.26 139.13 44.59 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.813 0.34 . . . . 0.0 110.24 178.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.779 ' O ' HG22 ' A' ' 6' ' ' VAL . 40.6 t -108.13 98.18 7.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.324 -179.433 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -106.34 162.87 13.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.312 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 7.1 m -98.04 -172.62 2.4 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 120.891 0.377 . . . . 0.0 111.131 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.161 -0.923 . . . . 0.0 111.068 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.2 t . . . . . 0 CA--C 1.528 0.113 0 CA-C-O 120.703 0.287 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.803 HG22 ' O ' ' A' ' 39' ' ' CYS . 19.4 t -49.17 -54.33 6.06 Favored 'Isoleucine or valine' 0 C--O 1.231 0.13 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.428 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.83 -28.68 24.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.964 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -66.26 -66.25 0.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.982 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.2 t -86.03 153.26 22.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.046 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -87.2 -164.82 1.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.009 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.441 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 2.6 t -172.66 173.08 4.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.681 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.45 178.86 6.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.793 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.466 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 43.8 tttm -46.32 -44.72 16.98 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.367 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.428 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER 174.52 166.54 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.916 0.389 . . . . 0.0 111.077 179.433 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.83 -133.89 11.82 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.705 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -107.16 137.88 44.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.891 0.377 . . . . 0.0 111.045 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.441 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 0.7 OUTLIER -134.47 107.82 7.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.496 179.725 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.477 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 0.9 OUTLIER -45.63 -37.45 5.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.606 -179.528 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -62.91 -46.24 88.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.844 0.354 . . . . 0.0 111.005 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.34 -52.87 63.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.191 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.477 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 4.3 pt20 -55.8 -35.25 66.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.835 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.445 ' N ' ' HG3' ' A' ' 21' ' ' GLN . 26.3 t0 -67.1 -36.38 81.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -68.31 -62.24 1.49 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.185 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.42 ' SG ' ' HB2' ' A' ' 29' ' ' HIS . 6.8 t -47.31 -49.82 23.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.709 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.78 -49.75 67.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.41 179.075 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.69 -25.75 60.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.835 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.42 -31.79 48.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.615 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 129.84 38.27 0.33 Allowed Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.367 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.42 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 74.4 m-70 -134.95 -148.34 0.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.357 0.122 . . . . 0.0 110.971 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -119.05 -38.07 3.11 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-O 120.627 0.251 . . . . 0.0 111.295 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 175.19 -151.88 12.76 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.374 -0.917 . . . . 0.0 112.5 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -171.73 -163.66 26.04 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.575 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.0 t -131.73 163.0 29.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.933 0.397 . . . . 0.0 111.039 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.1 t -109.63 125.23 52.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.802 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.426 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -130.32 99.11 4.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.543 -179.605 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.419 ' CG ' ' O ' ' A' ' 36' ' ' PHE . 22.8 t80 49.07 61.87 2.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.977 0.418 . . . . 0.0 111.46 179.226 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.466 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 6.9 m-85 67.15 15.98 10.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.007 179.378 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 35' ' ' MET . 12.2 mmtt -103.17 140.36 37.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.75 0.31 . . . . 0.0 110.216 178.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.803 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -107.38 91.99 3.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.401 -179.472 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -102.13 161.63 13.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.318 179.432 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.3 m -95.74 -173.11 2.77 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.013 0.435 . . . . 0.0 111.12 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.216 -0.897 . . . . 0.0 111.178 179.914 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.547 0.213 . . . . 0.0 111.317 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.791 HG22 ' O ' ' A' ' 39' ' ' CYS . 19.9 t -51.29 -32.4 12.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.789 0.328 . . . . 0.0 111.405 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -117.49 31.34 6.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.0 -51.75 1.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.996 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.0 t -104.86 127.54 52.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.153 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -164.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.257 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.455 ' HA ' ' CE2' ' A' ' 17' ' ' TYR . 2.4 t -174.57 173.32 2.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.451 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.54 -174.91 4.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.651 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.465 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -53.27 -43.34 67.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.792 0.33 . . . . 0.0 111.097 -179.741 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.441 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 171.54 160.47 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.927 0.394 . . . . 0.0 111.005 179.621 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.1 -133.66 11.56 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.918 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -99.59 143.52 29.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.896 0.379 . . . . 0.0 111.256 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.455 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 3.1 t80 -153.38 101.7 2.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.373 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.507 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 10.4 tt0 -47.76 -29.2 2.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.614 -179.305 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -63.99 -48.35 76.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.97 0.414 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.5 t -66.24 -56.37 11.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.159 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.507 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -55.27 -32.26 62.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.234 -179.651 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -68.25 -45.37 73.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.69 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -58.42 -61.78 2.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.987 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.5 t -47.86 -55.58 9.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.053 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.85 -31.9 60.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.963 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -75.57 -23.63 56.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.174 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.77 -47.01 19.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.912 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 156.44 38.05 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.319 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 -140.34 -150.94 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.414 0.15 . . . . 0.0 110.765 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -110.48 -40.28 4.67 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.769 0.319 . . . . 0.0 111.04 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 174.62 -150.71 11.61 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.467 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -168.32 -163.64 22.64 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.528 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.6 t -139.59 160.92 38.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.824 0.345 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.3 t -99.82 129.24 45.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.726 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.422 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 15.3 mtt -134.52 94.8 3.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.399 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.413 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 78.4 t80 49.42 62.89 2.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.032 0.444 . . . . 0.0 111.385 179.477 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.465 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 5.2 m-85 63.9 17.07 10.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.963 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 35' ' ' MET . 0.4 OUTLIER -111.44 121.83 46.23 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.834 0.35 . . . . 0.0 110.21 179.034 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.791 ' O ' HG22 ' A' ' 6' ' ' VAL . 49.1 t -89.9 100.24 13.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.33 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.5 tttm -106.69 162.32 13.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.26 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.5 m -92.54 -173.38 3.35 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.996 0.427 . . . . 0.0 111.162 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.152 -0.928 . . . . 0.0 111.05 179.963 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.793 0.33 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.2 t -63.56 -51.43 70.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.488 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.76 25.67 9.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.277 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -115.7 -46.67 2.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.881 0.372 . . . . 0.0 110.768 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.8 t -115.42 143.03 45.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.713 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.64 152.47 25.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.022 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.8 t -135.72 172.11 13.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.641 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.32 -177.14 5.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.687 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.486 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 13.6 tttp -46.55 -46.29 19.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.399 -179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.431 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.2 OUTLIER 176.68 162.83 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 111.013 179.607 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 115.41 -134.39 11.53 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.817 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -115.98 131.23 57.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.871 0.367 . . . . 0.0 111.306 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -135.35 109.02 7.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.327 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.528 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 13.3 tt0 -45.09 -31.8 1.52 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.662 -179.285 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.33 -44.01 96.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.821 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.5 t -69.43 -57.49 5.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.091 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.528 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -53.82 -32.22 51.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.064 -179.774 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 27.8 t70 -69.58 -45.94 67.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.569 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -56.91 -56.01 27.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.01 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.4 t -53.58 -61.43 2.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.597 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 26' ' ' ASN . 2.5 pttp -50.61 -30.35 13.15 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.374 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.441 ' N ' ' HG3' ' A' ' 25' ' ' LYS . 2.1 t-20 -80.05 -23.11 41.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.828 0.347 . . . . 0.0 110.847 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.66 -32.88 58.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 139.43 37.1 0.12 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.552 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 61.2 m-70 -140.24 -150.98 0.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.427 0.156 . . . . 0.0 110.673 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -109.66 -49.43 3.1 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.747 0.308 . . . . 0.0 111.039 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -171.32 -157.97 14.32 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.305 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -162.76 -166.41 21.5 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.534 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.496 HG23 ' SD ' ' A' ' 35' ' ' MET . 6.2 t -138.13 173.28 11.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.955 0.407 . . . . 0.0 111.043 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.2 t -113.27 126.31 55.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.496 ' SD ' HG23 ' A' ' 33' ' ' THR . 0.0 OUTLIER -135.27 101.37 4.82 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.971 -179.635 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.426 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 83.4 t80 47.06 64.58 1.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 112.015 178.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.486 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 4.4 m-85 62.76 19.46 11.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.833 179.035 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -114.1 139.65 49.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.845 0.355 . . . . 0.0 110.383 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.5 t -103.19 99.77 9.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.987 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -103.53 166.37 10.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.42 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.0 m -101.07 -172.28 2.14 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 120.968 0.413 . . . . 0.0 110.984 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.239 -0.886 . . . . 1.0 111.057 -179.948 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 94.8 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.724 0.297 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.5 t -50.37 -35.75 12.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.418 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.54 37.59 4.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.2 ttpp -125.75 -50.75 1.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 t -108.38 152.3 24.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -88.32 156.62 19.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.471 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 2.0 t -136.89 171.24 14.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.53 -178.44 5.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.699 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.48 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 28.6 tttt -47.07 -42.83 19.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.75 0.309 . . . . 0.0 111.335 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.429 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 171.42 165.26 0.09 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.953 0.406 . . . . 0.0 110.901 179.557 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.19 -133.75 11.84 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.609 -0.805 . . . . 0.0 113.021 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.464 ' CZ ' ' HG3' ' A' ' 21' ' ' GLN . 3.9 t80 -103.77 139.07 39.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.875 0.369 . . . . 0.0 111.257 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.471 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 1.4 t80 -145.89 110.38 5.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.452 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.78 -32.89 3.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.75 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.448 ' HB2' ' CD2' ' A' ' 17' ' ' TYR . 8.3 mt-10 -63.41 -64.14 0.99 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.078 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.1 t -52.72 -49.18 65.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.006 0.431 . . . . 0.0 110.955 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.464 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 1.1 mm100 -53.15 -54.52 34.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.194 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.447 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 61.4 m-20 -59.63 -29.79 68.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.887 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -63.53 -57.69 9.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.238 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.451 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 3.1 t -59.89 -63.29 1.35 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.405 -179.609 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -41.97 -54.32 3.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.565 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 1.7 t-20 -66.78 -26.55 67.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.741 0.305 . . . . 0.0 111.071 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 24' ' ' CYS . . . -65.27 -31.04 71.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.676 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 137.75 -3.86 3.23 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.952 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 53.9 m-70 -102.71 -147.49 0.37 Allowed 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.704 0.252 . . . . 0.0 110.7 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -107.22 -52.18 2.8 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.786 0.327 . . . . 0.0 111.01 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.42 ' HA3' ' OE1' ' A' ' 21' ' ' GLN . . . -175.46 -163.12 27.83 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.174 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -157.61 -174.39 27.26 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.582 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.3 t -130.72 159.4 37.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.907 0.384 . . . . 0.0 111.037 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.4 t -100.69 123.91 45.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.774 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.4 ' O ' ' CB ' ' A' ' 38' ' ' LYS . 2.4 mmt -131.23 102.9 6.18 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.507 -179.548 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.426 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 92.7 t80 45.37 71.75 0.26 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.907 179.187 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.48 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 5.0 m-85 55.4 21.32 4.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.924 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.4 ' CB ' ' O ' ' A' ' 35' ' ' MET . 8.5 tttt -114.54 140.35 48.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.802 0.334 . . . . 0.0 110.517 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.6 t -106.29 100.34 9.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.06 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.4 tptt -110.02 163.85 13.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.59 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.1 m -102.54 -171.2 1.92 Allowed 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 120.904 0.383 . . . . 0.0 111.048 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.266 -0.874 . . . . 1.0 111.141 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.4 t . . . . . 0 CA--C 1.528 0.098 0 CA-C-O 120.744 0.307 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 39' ' ' CYS . 11.3 t -51.68 -36.47 18.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.302 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.05 36.7 4.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.823 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.62 -55.5 0.95 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 t -91.41 154.54 19.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -84.13 152.3 24.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -133.28 165.69 24.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.477 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.82 -179.11 5.66 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.413 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.448 ' HG2' ' CE2' ' A' ' 14' ' ' TYR . 42.5 tttt -50.69 -42.42 56.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.86 0.362 . . . . 0.0 110.682 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.448 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 172.59 153.68 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.861 179.35 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.47 -145.0 18.26 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.956 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 17' ' ' TYR . 6.0 t80 -95.62 152.68 18.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.808 0.337 . . . . 0.0 111.184 -179.683 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.453 ' CE2' ' CB ' ' A' ' 19' ' ' GLU . 4.4 t80 -157.5 104.35 2.0 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.604 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -47.29 -32.22 4.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.464 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.453 ' CB ' ' CE2' ' A' ' 17' ' ' TYR . 0.4 OUTLIER -57.28 -61.2 2.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.727 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -55.08 -37.8 67.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.643 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.4 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -54.84 -56.12 22.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.684 179.662 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.489 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 1.6 m-20 -55.88 -36.93 68.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.543 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 t -58.83 -61.27 2.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.33 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.44 -58.99 5.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.803 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 26' ' ' ASN . 1.5 pttp -50.43 -33.09 19.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.29 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.489 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 0.9 OUTLIER -76.1 -26.23 56.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.892 0.377 . . . . 0.0 110.487 179.402 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.74 -28.48 60.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.826 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 130.6 34.4 0.45 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.749 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 -140.69 -151.11 0.35 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.545 0.212 . . . . 0.0 110.748 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -103.98 -57.81 1.98 Allowed 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.735 0.302 . . . . 0.0 111.241 -179.601 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -169.67 -157.31 11.88 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.363 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -164.81 -168.91 27.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.629 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.4 t -140.45 156.29 46.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.776 0.322 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 m -94.26 116.41 28.8 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.643 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.6 mmm -117.2 100.42 7.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.022 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 41.3 t80 49.62 61.49 3.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.967 0.413 . . . . 0.0 111.316 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.432 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 5.5 m-85 64.27 18.56 11.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.775 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.41 137.29 48.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.756 0.313 . . . . 0.0 110.495 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.518 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -95.65 89.46 5.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.249 -179.634 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.25 162.82 13.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.709 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.1 m -104.3 -170.68 1.8 Allowed 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.962 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.297 -0.859 . . . . 0.0 111.127 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.564 0.221 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 39' ' ' CYS . 3.8 p -51.31 -45.89 33.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.066 0.46 . . . . 0.0 111.021 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.468 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 3.8 t70 -110.57 30.03 7.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.9 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.09 -65.58 0.98 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.769 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.1 t -90.73 150.7 21.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.746 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -77.23 -165.09 0.53 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.428 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 2.0 t -174.99 176.23 2.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.567 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.49 -174.66 4.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.724 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.425 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 4.0 ttmt -58.24 -43.46 87.79 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.764 0.316 . . . . 0.0 111.192 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.1 OUTLIER 176.21 153.32 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 111.045 179.898 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 120.24 -134.51 10.46 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.705 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -109.31 133.13 53.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 0.0 111.047 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.428 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 1.4 t80 -133.62 110.77 10.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.573 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.521 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 5.4 tt0 -48.5 -28.47 3.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.47 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -66.34 -40.45 89.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.823 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -71.71 -53.39 13.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.521 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -58.18 -32.2 68.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.846 0.355 . . . . 0.0 111.02 -179.89 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -73.02 -39.16 66.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.579 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -62.81 -58.46 7.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.796 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.6 t -54.17 -55.12 30.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.23 -39.48 30.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.093 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -74.79 -24.55 58.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.063 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.57 -30.03 62.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.969 0.414 . . . . 0.0 110.795 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 134.01 34.67 0.29 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.484 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -140.03 -150.27 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.411 0.148 . . . . 0.0 110.666 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -107.28 -46.77 3.8 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.772 0.32 . . . . 0.0 111.006 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.87 -151.34 10.24 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.507 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -167.51 -162.41 19.25 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.6 t -139.23 165.04 28.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.856 0.36 . . . . 0.0 110.979 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.8 t -105.78 127.7 53.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.746 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.503 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -132.54 92.61 3.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.706 -179.414 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.421 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 74.6 t80 51.93 62.71 2.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.924 0.393 . . . . 0.0 111.785 178.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.425 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 4.0 m-85 65.36 8.42 4.95 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.316 0.488 . . . . 0.0 112.316 179.14 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.503 ' HB2' ' O ' ' A' ' 35' ' ' MET . 0.0 OUTLIER -105.96 126.32 52.05 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 120.885 0.374 . . . . 0.0 110.206 179.416 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.633 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -89.89 117.74 28.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.507 -179.161 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.61 159.95 28.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.19 179.375 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.8 m -95.8 -173.08 2.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.053 0.454 . . . . 0.0 111.041 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.245 -0.883 . . . . 1.0 111.089 179.945 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 96.3 m . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.754 0.311 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.602 HG22 ' O ' ' A' ' 39' ' ' CYS . 14.7 t -52.34 -31.98 15.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.328 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.4 29.26 8.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -137.39 -58.64 0.69 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.8 t -91.28 112.99 25.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -164.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.2 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.459 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 0.8 OUTLIER -171.45 176.16 3.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.717 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.66 -176.36 4.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.44 ' HG2' ' CE2' ' A' ' 14' ' ' TYR . 72.6 tttt -52.51 -43.26 64.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.171 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.44 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER 178.76 168.34 0.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.952 0.406 . . . . 0.0 111.065 179.7 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.92 -137.48 13.95 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.61 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -113.69 133.04 55.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.895 0.379 . . . . 0.0 110.92 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.462 ' CE2' ' HB2' ' A' ' 19' ' ' GLU . 4.0 t80 -130.78 106.27 8.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.429 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.517 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 0.2 OUTLIER -45.87 -30.19 1.63 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.571 -179.526 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.462 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -66.02 -40.9 91.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.87 0.367 . . . . 0.0 110.517 179.801 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.4 t -69.85 -56.35 7.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.865 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.517 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -56.33 -31.49 63.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -68.23 -46.75 69.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.619 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.2 t -58.83 -59.71 5.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.837 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 18.9 t -46.92 -56.25 6.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.299 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.65 -35.63 66.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.774 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.34 -24.51 63.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.078 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.96 -39.75 33.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.823 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 146.36 37.93 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.511 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 -139.51 -150.2 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.444 0.164 . . . . 0.0 110.785 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -114.75 -48.11 2.86 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.681 0.277 . . . . 0.0 111.4 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -175.13 -149.8 7.49 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.468 -0.873 . . . . 0.0 112.393 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.412 ' HA3' ' O ' ' A' ' 40' ' ' LYS . . . -177.33 -169.49 38.52 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.748 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.5 t -117.86 163.33 16.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.73 0.3 . . . . 0.0 110.72 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 47.5 t -117.93 117.47 29.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.908 0.385 . . . . 0.0 111.304 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.656 ' O ' ' N ' ' A' ' 37' ' ' PHE . 24.8 mtp -102.75 -162.88 0.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.571 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.429 ' O ' ' HB2' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -53.69 70.09 0.0 OUTLIER 'General case' 0 C--O 1.231 0.117 0 CA-C-O 121.396 0.617 . . . . 0.0 111.053 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.656 ' N ' ' O ' ' A' ' 35' ' ' MET . 4.1 m-85 67.24 33.09 5.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.392 -179.411 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -123.31 133.38 54.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.655 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.602 ' O ' HG22 ' A' ' 6' ' ' VAL . 46.4 t -100.75 107.8 19.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.002 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.412 ' O ' ' HA3' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -118.18 156.84 28.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.444 179.64 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 12.4 m -88.27 -174.13 4.5 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 120.998 0.427 . . . . 0.0 111.144 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.291 -0.861 . . . . 1.0 111.092 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.674 0.273 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 39' ' ' CYS . 3.3 p -41.1 -45.97 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 CA-C-O 121.027 0.441 . . . . 0.0 111.583 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.459 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 1.1 t0 -116.74 39.97 3.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.795 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -129.9 -46.63 1.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.965 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 t -103.26 149.36 24.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.3 ttm-85 -86.24 152.82 22.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.918 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.445 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 1.6 t -131.22 174.06 10.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.813 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.4 -172.33 3.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.743 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.516 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 0.7 OUTLIER -57.12 -43.21 82.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.411 -179.609 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.436 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.1 OUTLIER 174.16 155.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.922 0.391 . . . . 0.0 111.185 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.75 -136.51 12.81 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.859 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -107.08 126.33 52.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.852 0.358 . . . . 0.0 111.131 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.445 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 1.2 t80 -123.35 112.3 17.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.417 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.521 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 0.5 OUTLIER -51.05 -26.66 6.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.38 -179.649 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.66 -40.65 72.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.767 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -48.15 53.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.071 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.521 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -62.57 -32.0 72.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.834 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.52 -44.84 70.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.743 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -58.45 -61.0 2.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.5 t -51.13 -56.8 10.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.232 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.08 -39.26 41.92 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.971 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.28 -25.75 63.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.943 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.28 -31.47 60.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.783 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 134.89 35.32 0.25 Allowed Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.613 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -137.19 -151.39 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 O-C-N 122.906 -0.173 . . . . 0.0 110.61 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -104.3 -50.8 3.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.732 0.301 . . . . 0.0 111.085 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -174.95 -156.09 13.62 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.535 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.11 170.58 33.83 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.783 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.4 t -112.06 165.45 12.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.895 0.379 . . . . 0.0 110.87 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.3 t -116.21 121.84 43.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.414 ' O ' ' CB ' ' A' ' 38' ' ' LYS . 0.8 OUTLIER -127.96 100.75 6.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.619 -179.617 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.427 ' HA ' ' O ' ' A' ' 13' ' ' LYS . 85.6 t80 43.46 75.85 0.09 Allowed 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 178.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.516 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 3.9 m-85 54.76 20.12 2.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.939 179.192 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 35' ' ' MET . 8.6 tttm -114.86 134.87 54.79 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.747 0.308 . . . . 0.0 110.176 179.146 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.672 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -102.75 124.26 47.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.959 0.409 . . . . 0.0 111.305 -179.343 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.95 166.58 23.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.376 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.3 m -92.28 -173.96 3.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.124 0.487 . . . . 0.0 111.104 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.248 -0.882 . . . . 1.0 111.177 179.955 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 57.8 m . . . . . 0 CA--C 1.529 0.143 0 CA-C-O 120.627 0.251 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.809 HG22 ' O ' ' A' ' 39' ' ' CYS . 17.7 t -51.03 -40.58 21.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 120.877 0.37 . . . . 0.0 111.401 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.48 -28.2 13.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.93 -65.39 0.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.028 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 t -94.12 145.05 24.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.066 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -89.33 165.28 14.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.45 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 2.4 t -141.77 168.72 19.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.967 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.63 -169.28 2.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.931 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.522 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 1.2 ttpt -47.2 -59.59 3.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.382 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.447 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -177.93 162.0 1.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.01 179.674 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.39 -132.15 10.59 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.648 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -107.45 135.0 49.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.876 0.369 . . . . 0.0 111.106 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.45 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 3.8 t80 -138.59 109.51 6.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.435 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.532 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 0.2 OUTLIER -47.21 -30.4 2.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.596 -179.452 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.448 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 1.9 tt0 -67.03 -45.1 78.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.934 0.397 . . . . 0.0 110.843 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.92 -52.62 34.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.2 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.532 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -58.02 -30.33 66.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.006 -179.834 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.06 -41.39 67.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.595 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -60.11 -60.38 3.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.926 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.3 t -53.76 -55.47 26.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.954 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.09 -42.41 28.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.609 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.19 -27.29 66.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.728 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.57 -32.74 70.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.797 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 141.47 -7.66 2.55 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.64 -0.791 . . . . 0.0 113.09 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -94.7 -146.68 0.26 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.889 0.345 . . . . 0.0 110.781 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -109.35 -45.57 3.7 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.699 0.285 . . . . 0.0 111.213 -179.605 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -177.19 -157.07 17.37 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.477 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.45 174.52 34.22 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.68 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 t -119.08 161.68 19.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.92 0.39 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.9 t -102.82 126.59 50.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.834 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 40.3 mtp -132.86 94.02 3.3 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.689 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.413 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 78.8 t80 49.01 64.53 1.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.762 179.147 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.522 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 7.4 m-85 62.49 16.73 8.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.019 179.119 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -111.44 125.63 54.08 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 178.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.809 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -89.92 109.94 20.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.416 -179.157 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.98 165.58 13.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.223 179.397 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.1 m -96.83 -172.95 2.58 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 121.03 0.443 . . . . 0.0 111.078 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.28 -0.867 . . . . 0.0 111.123 179.973 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 32.6 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.747 0.308 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.508 HG22 ' O ' ' A' ' 39' ' ' CYS . 16.2 t -51.2 -40.88 23.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.867 0.365 . . . . 0.0 111.245 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.25 25.59 9.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.78 -50.54 1.24 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.15 131.24 44.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.6 ttt85 -77.97 153.83 32.1 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -129.55 165.44 21.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.06 178.54 6.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.62 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.441 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 15.3 tttt -42.28 -44.0 3.67 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.416 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.44 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER 173.82 160.56 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.963 0.411 . . . . 0.0 111.225 179.352 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.39 -137.27 14.05 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.929 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 17' ' ' TYR . 13.9 t80 -110.35 155.09 22.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 0.0 111.003 -179.691 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.463 ' CE2' ' CB ' ' A' ' 19' ' ' GLU . 4.4 t80 -159.32 111.08 2.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.478 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.512 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -48.54 -28.36 3.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.532 -179.483 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.463 ' CB ' ' CE2' ' A' ' 17' ' ' TYR . 0.9 OUTLIER -65.63 -51.1 62.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.796 0.332 . . . . 0.0 111.026 -179.883 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.4 t -64.25 -56.14 16.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.948 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.512 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -54.76 -31.25 58.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 -179.877 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.0 -43.81 74.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.718 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.2 t -58.65 -59.27 5.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.858 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.7 t -50.34 -57.07 8.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.101 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.76 -42.32 62.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.223 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -67.87 -25.4 65.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.229 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.3 -34.67 61.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.979 0.418 . . . . 0.0 110.785 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 139.56 35.27 0.14 Allowed Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.633 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -138.16 -151.58 0.39 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.558 0.218 . . . . 0.0 110.623 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -106.67 -49.84 3.24 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.752 0.311 . . . . 0.0 111.148 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 179.99 -150.9 9.5 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.481 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -168.79 -156.87 10.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.475 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.5 t -150.18 152.85 35.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.869 0.366 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.9 m -91.72 119.21 31.36 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.6 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.405 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 5.9 mtt -123.03 106.41 10.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 18.7 t80 47.99 62.72 2.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.625 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.441 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 4.7 m-85 60.72 22.01 11.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.95 179.234 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 35' ' ' MET . 1.6 mtpt -116.64 146.58 42.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.673 0.273 . . . . 0.0 110.31 179.114 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.508 ' O ' HG22 ' A' ' 6' ' ' VAL . 51.6 t -108.29 98.6 8.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.936 0.398 . . . . 0.0 111.333 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -106.63 161.69 14.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.406 179.45 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.3 m -92.1 -173.06 3.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.982 0.42 . . . . 0.0 111.038 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.268 -0.873 . . . . 1.0 111.137 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.528 0.133 0 CA-C-O 120.593 0.235 . . . . 0.0 111.306 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.2 t -46.71 -30.43 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-O 120.841 0.353 . . . . 0.0 111.607 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -125.37 34.91 4.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.61 -59.41 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.7 t -97.23 151.35 19.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.006 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.0 ttt85 -86.79 164.58 16.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.97 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.3 t -141.54 172.39 12.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.777 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.43 -172.53 3.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.976 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.519 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 28.3 tttp -54.63 -41.29 69.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.331 -179.605 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.411 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.2 OUTLIER 171.68 158.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 0.0 111.061 179.715 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 115.66 -133.99 11.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.871 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -112.58 125.41 54.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.796 0.332 . . . . 0.0 111.142 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -123.04 109.65 14.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.401 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.518 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 0.6 OUTLIER -44.53 -41.37 6.39 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.815 -179.328 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -58.83 -41.69 87.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.885 0.374 . . . . 0.0 110.958 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.39 -55.1 20.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.206 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.518 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -57.02 -29.18 63.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.114 -179.69 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.428 ' N ' ' HG3' ' A' ' 21' ' ' GLN . 1.9 t70 -70.4 -44.11 68.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -61.26 -57.7 11.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.111 0.482 . . . . 0.0 110.847 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.3 t -51.03 -58.16 6.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.321 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.7 ptmm? -52.0 -35.55 47.05 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 0.7 OUTLIER -71.28 -25.33 62.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.747 179.803 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.38 -32.44 54.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 136.87 36.58 0.18 Allowed Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.633 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -138.53 -152.13 0.41 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.472 0.177 . . . . 0.0 110.726 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -104.23 -55.91 2.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.737 0.303 . . . . 0.0 111.078 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -166.54 -160.44 13.77 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.343 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -151.18 173.84 30.54 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.653 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.1 t -120.69 171.65 8.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.971 0.415 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.5 t -116.69 123.03 46.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.821 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.543 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 70.9 mtp -127.5 89.59 2.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.593 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.426 ' HA ' ' O ' ' A' ' 13' ' ' LYS . 78.0 t80 52.42 60.59 3.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.002 0.43 . . . . 0.0 111.501 179.238 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.519 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 6.3 m-85 71.65 6.93 5.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.327 179.16 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.543 ' HB2' ' O ' ' A' ' 35' ' ' MET . 9.6 mmtt -100.4 125.53 46.69 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.817 0.341 . . . . 0.0 110.334 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.79 99.04 12.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.223 -179.47 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.12 172.18 6.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.424 179.479 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.9 m -101.15 -172.26 2.14 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.057 0.456 . . . . 0.0 111.083 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.222 -0.894 . . . . 1.0 111.002 -179.884 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.4 m . . . . . 0 CA--C 1.528 0.131 0 CA-C-O 120.719 0.295 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.465 ' CG1' ' N ' ' A' ' 7' ' ' ASP . 3.2 p -52.44 -45.43 45.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 121.057 0.456 . . . . 0.0 111.228 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.465 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -97.97 -21.55 16.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.993 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -70.83 -67.28 0.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.719 0.295 . . . . 0.0 110.964 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 t -92.58 151.82 19.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.961 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -91.25 165.63 13.36 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.774 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.488 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 1.7 t -141.15 170.03 16.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.897 0.379 . . . . 0.0 111.108 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.7 -171.83 3.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.787 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.468 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 16.0 tttt -51.98 -42.78 63.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.311 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.425 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.2 OUTLIER 171.66 161.67 0.1 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.848 0.356 . . . . 0.0 111.116 179.802 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 109.01 -158.44 14.6 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.926 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -84.21 114.26 21.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.879 0.371 . . . . 0.0 111.223 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.488 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 2.8 t80 -115.42 97.39 6.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.026 179.154 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -40.71 -32.58 0.22 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.753 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -59.88 -50.17 74.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.963 0.411 . . . . 0.0 110.675 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.63 -41.0 96.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.914 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -46.06 86.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.816 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -63.93 -37.34 87.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.668 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -59.61 -60.11 4.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 4.3 t -56.18 -54.12 49.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.06 -48.7 33.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.879 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.93 -28.16 69.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.777 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 24' ' ' CYS . . . -68.64 -32.5 72.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.778 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 140.02 -5.01 2.71 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.724 -0.75 . . . . 0.0 113.035 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 -100.48 -147.49 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.831 0.315 . . . . 0.0 110.728 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -109.76 -49.64 3.07 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.665 0.269 . . . . 0.0 111.227 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -174.26 -152.3 8.96 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.588 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -164.19 -165.34 21.25 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.698 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 t -136.25 165.22 26.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.918 0.389 . . . . 0.0 111.064 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.4 t -107.56 124.89 50.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.4 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 0.5 OUTLIER -131.26 92.77 3.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.498 -179.748 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.416 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 79.6 t80 49.56 63.11 2.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.005 0.431 . . . . 0.0 111.365 179.384 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.468 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 6.1 m-85 65.77 15.32 10.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.836 179.447 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 35' ' ' MET . 25.1 mmmt -105.22 123.54 48.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.839 0.352 . . . . 0.0 110.412 179.197 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.91 97.98 11.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -106.99 163.11 13.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.488 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.9 m -102.33 -171.62 1.99 Allowed 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 120.963 0.411 . . . . 0.0 110.923 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.222 -0.894 . . . . 1.0 111.096 179.991 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.1 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.68 0.276 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.808 HG22 ' O ' ' A' ' 39' ' ' CYS . 17.5 t -42.66 -35.52 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.649 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -119.21 35.91 4.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.772 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.5 ttpp -134.7 -52.69 0.81 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 t -103.24 150.47 23.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -87.15 164.91 16.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.451 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 2.2 t -144.41 170.07 16.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.41 -173.06 3.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.641 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.495 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 53.8 tttt -49.26 -48.61 45.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.726 0.298 . . . . 0.0 111.213 -179.705 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.435 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 172.98 164.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 110.961 179.67 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.31 -133.62 11.7 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.797 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.454 ' CZ ' ' HG3' ' A' ' 21' ' ' GLN . 1.9 t80 -103.27 131.04 50.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.982 0.42 . . . . 0.0 111.214 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.451 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 2.0 t80 -137.23 101.5 4.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.12 179.537 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -42.79 -34.19 0.89 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.0 -179.219 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.444 ' HB2' ' CD2' ' A' ' 17' ' ' TYR . 15.9 mt-10 -59.44 -57.83 11.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.962 0.411 . . . . 0.0 110.842 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.89 -36.56 74.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.966 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.454 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -59.72 -56.63 19.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.018 -179.901 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.453 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 43.7 m-20 -56.53 -35.24 67.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.959 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.39 -57.47 12.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.294 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.8 t -58.72 -62.92 1.5 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.895 -179.202 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 26' ' ' ASN . 9.7 pttm -44.55 -45.9 9.62 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.857 -179.215 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.453 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 0.7 OUTLIER -71.83 -24.77 61.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 111.043 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.23 -28.97 64.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 132.94 31.74 0.43 Allowed Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.75 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 -139.36 -151.99 0.4 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.581 0.229 . . . . 0.0 110.668 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -103.79 -57.56 2.02 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.797 0.332 . . . . 0.0 111.134 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -164.84 -162.26 15.52 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.215 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.79 176.74 33.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.566 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.4 t -129.14 164.84 22.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.9 t -104.29 132.13 50.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.433 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -137.22 96.62 3.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.642 -179.587 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.4 t80 48.6 65.22 1.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.859 0.361 . . . . 0.0 111.71 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.495 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 6.2 m-85 60.33 18.35 7.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.99 179.121 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 35' ' ' MET . 0.8 OUTLIER -111.94 132.26 54.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.771 0.319 . . . . 0.0 110.353 179.15 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.808 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -89.93 111.52 22.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.989 -179.475 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.05 163.83 17.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.603 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 m -104.53 -170.43 1.76 Allowed 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.917 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.232 -0.889 . . . . 1.0 111.071 179.963 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 93.1 m . . . . . 0 CA--C 1.529 0.136 0 CA-C-O 120.606 0.241 . . . . 0.0 111.363 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 39' ' ' CYS . 14.0 t -53.85 -47.07 64.14 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-O 120.859 0.361 . . . . 0.0 111.331 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -108.77 30.26 6.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 ttpp -131.27 -50.64 1.01 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 t -103.17 109.59 21.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.76 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -54.99 -179.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.292 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.445 ' HA ' ' CE2' ' A' ' 17' ' ' TYR . 2.4 t -160.97 173.22 15.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.628 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.4 -177.7 5.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.693 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.476 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 4.8 tttp -45.89 -45.59 15.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.724 0.297 . . . . 0.0 111.315 -179.634 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.424 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 172.17 161.97 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.965 179.577 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 109.72 -136.74 13.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.897 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.447 ' CZ ' ' HG3' ' A' ' 21' ' ' GLN . 3.3 t80 -98.05 136.84 37.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 0.0 111.05 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.447 ' CD2' ' HB2' ' A' ' 19' ' ' GLU . 2.3 t80 -143.24 110.36 5.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.591 179.727 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -50.39 -30.65 12.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.359 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.447 ' HB2' ' CD2' ' A' ' 17' ' ' TYR . 1.7 mt-10 -65.22 -52.21 56.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.787 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.0 t -60.13 -51.32 70.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.713 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.447 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 7.5 mm100 -53.0 -52.12 59.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.251 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 11.9 m-20 -55.5 -40.03 71.21 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.185 -179.528 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -64.49 -56.27 15.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.303 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.409 ' SG ' ' HB2' ' A' ' 29' ' ' HIS . 8.7 t -46.12 -61.67 1.67 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.579 -179.565 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -53.55 -44.17 69.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.181 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 1.0 OUTLIER -59.77 -27.75 66.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.018 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.23 -32.63 49.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.004 0.431 . . . . 0.0 110.637 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 131.46 38.15 0.28 Allowed Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.178 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.43 ' HB3' ' H ' ' A' ' 30' ' ' ASN . 55.6 m-70 -130.77 -153.57 0.57 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 -179.569 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.43 ' H ' ' HB3' ' A' ' 29' ' ' HIS . 3.0 m120 -120.68 -39.09 2.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.709 0.29 . . . . 0.0 111.059 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.77 -177.7 45.94 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.977 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -152.87 -161.37 10.24 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 t -144.45 155.91 43.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.995 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.3 t -97.48 128.84 44.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.695 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.498 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 5.5 mmm -137.09 97.83 3.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.679 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.419 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 85.9 t80 49.84 64.52 1.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.983 178.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.476 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 6.2 m-85 62.53 13.31 6.11 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 178.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 35' ' ' MET . 1.6 mttt -110.79 137.36 48.55 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 120.775 0.321 . . . . 0.0 110.212 179.182 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.473 ' O ' HG22 ' A' ' 6' ' ' VAL . 40.9 t -103.24 112.8 25.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.342 -179.204 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.9 tttm -118.95 161.44 20.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.306 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.9 m -102.34 -172.55 2.15 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 120.976 0.417 . . . . 0.0 110.941 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.213 -0.898 . . . . 0.0 111.133 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 85.8 m . . . . . 0 CA--C 1.528 0.129 0 CA-C-O 120.653 0.263 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 39' ' ' CYS . 3.2 p -53.05 -46.68 54.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 121.043 0.449 . . . . 0.0 111.212 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.467 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 0.7 OUTLIER -94.81 -29.48 14.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.973 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.46 -56.35 5.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.988 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.9 t -95.57 144.52 25.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.971 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -92.59 166.46 12.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.846 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.478 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 2.0 t -144.53 169.26 18.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.95 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.43 -171.83 3.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.834 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.505 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 24.1 tttt -48.28 -49.38 33.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.399 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.441 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 176.12 164.25 0.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.947 0.403 . . . . 0.0 111.168 179.759 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.411 ' N ' ' HB3' ' A' ' 34' ' ' CYS . . . 106.11 -156.7 16.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.762 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -83.66 120.5 26.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.011 0.434 . . . . 0.0 111.359 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.478 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 5.4 t80 -123.92 97.96 5.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.985 179.034 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -40.73 -31.5 0.16 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.937 -179.257 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.73 -49.48 74.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.911 0.386 . . . . 0.0 110.73 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.09 -41.78 85.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.074 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -47.42 84.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.16 -38.93 93.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.73 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -59.13 -60.37 3.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.146 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.0 t -51.95 -59.24 4.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.34 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.77 -39.73 18.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.21 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.38 -24.68 61.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.037 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.49 -31.03 62.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.012 0.434 . . . . 0.0 110.783 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 133.56 35.03 0.29 Allowed Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.571 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -138.41 -150.56 0.34 Allowed 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 120.451 0.167 . . . . 0.0 110.677 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -107.3 -53.95 2.55 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.758 0.313 . . . . 0.0 111.036 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -168.73 -158.61 12.89 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.33 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -157.91 -174.5 27.7 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.656 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 t -133.62 161.9 33.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.91 0.386 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.411 ' HB3' ' N ' ' A' ' 15' ' ' GLY . 2.4 t -103.76 123.56 47.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.773 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.2 mmt -130.38 97.36 4.39 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.622 -179.508 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.433 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 89.5 t80 45.32 73.15 0.17 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.911 179.175 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.505 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 7.7 m-30 53.94 20.88 2.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.976 179.376 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.8 tttp -116.16 127.41 54.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.79 0.329 . . . . 0.0 110.285 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.578 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -89.85 113.8 25.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.194 -179.439 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.32 163.91 18.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.502 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.0 m -101.66 -171.54 2.0 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 120.9 0.381 . . . . 0.0 110.863 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.207 -0.901 . . . . 1.0 111.088 -179.954 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 59.8 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.774 0.321 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.659 HG22 ' O ' ' A' ' 39' ' ' CYS . 19.5 t -48.3 -29.19 2.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.528 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -114.14 -27.27 7.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.187 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -68.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.195 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -77.13 159.21 29.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.192 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -99.25 147.31 25.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.73 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.94 161.0 25.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.023 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.96 -174.93 4.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.43 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.461 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -48.07 -51.75 23.08 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.909 0.385 . . . . 0.0 111.257 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.417 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 177.16 148.52 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.966 179.501 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.77 -144.31 16.3 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.604 -0.807 . . . . 0.0 112.906 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.458 ' CD1' ' N ' ' A' ' 17' ' ' TYR . 8.9 t80 -91.33 152.66 20.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 111.203 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.458 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 1.7 t80 -161.25 113.43 1.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.609 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -53.51 -27.82 27.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.51 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -63.4 -65.39 0.69 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.94 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.8 t -52.49 -47.27 66.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.123 0.487 . . . . 0.0 110.638 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.454 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 6.5 mm100 -52.32 -55.7 19.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.232 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 1.2 m-20 -59.0 -39.0 80.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.209 -179.626 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -58.42 -57.43 12.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.043 0.449 . . . . 0.0 111.268 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.0 t -53.91 -62.48 1.63 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.681 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.2 ptmm? -47.51 -37.25 11.61 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.703 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 0.7 OUTLIER -75.93 -24.11 55.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.811 0.339 . . . . 0.0 111.043 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.0 -31.56 63.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 135.27 34.7 0.25 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.529 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -142.42 -150.84 0.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.521 0.2 . . . . 0.0 110.642 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -107.36 -51.78 2.86 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.734 0.302 . . . . 0.0 110.984 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 179.86 -152.22 10.72 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.447 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -175.88 -150.22 7.92 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.534 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 t -151.83 159.13 43.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.873 0.368 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.7 m -93.82 115.19 27.58 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.604 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.471 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 24.8 mtp -116.51 103.04 10.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.325 -179.615 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.422 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 79.7 t80 48.52 65.25 1.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.943 0.401 . . . . 0.0 111.882 179.15 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.461 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 8.5 m-85 60.53 17.55 7.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.283 178.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 35' ' ' MET . 2.7 tttm -115.45 142.22 47.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.713 0.292 . . . . 0.0 110.244 179.299 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.659 ' O ' HG22 ' A' ' 6' ' ' VAL . 53.0 t -101.2 97.99 8.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.868 0.366 . . . . 0.0 111.116 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -103.69 153.17 20.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.76 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.5 m -98.01 -172.21 2.32 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.967 0.413 . . . . 0.0 110.937 -179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.289 -0.863 . . . . 1.0 111.138 -179.971 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 81.4 m . . . . . 0 CA--C 1.529 0.162 0 CA-C-O 120.635 0.255 . . . . 0.0 111.313 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 39' ' ' CYS . 15.7 t -50.97 -34.87 14.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.795 0.331 . . . . 0.0 111.391 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -124.66 34.01 5.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -134.54 -46.38 0.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.004 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.15 119.59 39.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.05 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 tpt85 -62.51 156.5 22.76 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.283 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.45 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 1.8 t -136.1 173.54 11.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.685 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.39 -174.77 4.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.593 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.475 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -50.79 -46.98 59.87 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.396 -179.713 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.49 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER 173.54 153.47 0.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.903 0.382 . . . . 0.0 111.121 179.926 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.94 -133.61 10.55 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.912 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.443 ' CZ ' ' HG3' ' A' ' 21' ' ' GLN . 4.2 t80 -102.36 134.27 45.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.872 0.367 . . . . 0.0 111.167 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.45 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 1.6 t80 -138.02 112.67 8.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.534 179.578 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.82 -35.93 34.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.683 -179.42 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.412 ' HB2' ' CD2' ' A' ' 17' ' ' TYR . 10.0 mt-10 -61.15 -57.19 13.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.18 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.4 t -55.0 -50.81 68.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.005 0.431 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.443 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 5.1 mm100 -52.33 -54.79 27.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.341 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -58.48 -38.95 78.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.19 -179.663 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.23 -58.86 6.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.365 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.8 t -53.31 -60.91 2.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.653 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 26' ' ' ASN . 4.6 ptmm? -47.97 -36.13 12.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.279 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.411 ' N ' ' HG3' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -74.73 -26.18 59.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.745 179.64 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.71 -33.15 70.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.647 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.33 -9.46 2.18 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.666 -0.778 . . . . 0.0 113.046 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 -96.47 -146.93 0.29 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.854 0.327 . . . . 0.0 110.771 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -112.67 -47.79 3.05 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.745 0.307 . . . . 0.0 111.28 -179.622 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.24 -155.92 14.17 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.373 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -168.87 -154.51 9.03 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.723 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 t -146.18 163.05 36.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 0.0 111.031 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.8 t -99.26 128.97 45.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.419 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 1.6 mtt -135.32 96.23 3.44 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.574 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.432 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 91.6 t80 47.17 67.72 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.938 0.399 . . . . 0.0 111.695 179.133 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.475 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 5.1 m-85 59.42 18.89 7.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.069 179.222 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 35' ' ' MET . 1.7 mtpt -115.37 123.09 47.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.819 0.342 . . . . 0.0 110.265 179.079 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.492 ' O ' HG22 ' A' ' 6' ' ' VAL . 42.3 t -89.77 100.94 13.65 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 -179.47 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 40.2 tptt -105.47 157.74 17.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.528 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.0 m -101.34 -171.77 2.05 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 120.947 0.403 . . . . 0.0 110.978 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.333 -0.841 . . . . 0.0 111.134 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.172 0 N-CA-C 111.611 0.226 . . . . 0.0 111.611 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.762 HG22 ' O ' ' A' ' 39' ' ' CYS . 6.2 t -71.82 -30.92 39.38 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 120.807 0.337 . . . . 0.0 111.1 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -123.12 31.19 6.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.66 -56.85 1.57 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.821 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 t -97.76 156.38 16.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.0 ttt180 -86.63 163.46 17.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.437 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 1.8 t -142.77 173.46 11.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.65 -178.37 5.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.81 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.486 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -51.43 -47.31 63.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.405 -179.792 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.468 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER 177.76 151.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.871 0.367 . . . . 0.0 110.98 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.57 -134.01 9.78 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.717 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -109.23 133.96 52.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.961 0.41 . . . . 0.0 111.106 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.451 ' CD2' ' HB2' ' A' ' 19' ' ' GLU . 1.9 t80 -132.98 108.88 9.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.471 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.527 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 0.9 OUTLIER -47.71 -30.46 3.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.599 -179.443 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.451 ' HB2' ' CD2' ' A' ' 17' ' ' TYR . 0.6 OUTLIER -65.91 -45.76 80.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.824 0.345 . . . . 0.0 110.819 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.8 t -67.63 -54.47 19.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.187 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.527 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -56.32 -31.47 63.74 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.859 0.362 . . . . 0.0 111.166 -179.885 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -70.31 -43.89 69.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -58.95 -56.41 22.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.163 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.8 t -54.79 -57.56 11.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.548 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.4 ' HG2' ' N ' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -51.1 -50.45 58.74 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.139 -179.637 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.4 ' N ' ' HG2' ' A' ' 25' ' ' LYS . 2.6 t-20 -62.78 -25.42 68.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.178 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.56 -33.23 64.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.776 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 138.43 34.28 0.18 Allowed Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.593 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 -139.76 -152.78 0.43 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.526 0.203 . . . . 0.0 110.593 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -105.07 -50.03 3.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.762 0.315 . . . . 0.0 111.015 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -179.33 -152.23 10.45 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.354 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -163.82 -168.92 26.59 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.569 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 t -133.48 159.62 39.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.38 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.6 t -104.91 127.31 52.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.806 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.409 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -132.79 98.77 4.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.46 -179.656 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.415 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 8.6 t80 49.74 61.77 2.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.957 0.408 . . . . 0.0 111.28 179.326 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.486 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 6.7 m-85 66.45 16.17 10.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.851 179.444 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 35' ' ' MET . 0.5 OUTLIER -105.02 139.08 40.23 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 179.145 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.762 ' O ' HG22 ' A' ' 6' ' ' VAL . 46.4 t -109.99 96.29 6.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.245 -179.519 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 ttpp -108.28 164.15 12.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.212 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.4 m -92.49 -173.0 3.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.984 0.421 . . . . 0.0 110.961 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.269 -0.872 . . . . 1.0 111.07 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.819 0.343 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -148.45 47.63 1.04 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.59 -74.52 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.93 95.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.991 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 92.0 m -65.26 -25.44 67.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.8 HG22 ' O ' ' A' ' 39' ' ' CYS . 12.4 t -53.23 -42.83 48.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.339 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -105.71 25.71 10.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.041 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.53 -53.62 1.01 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.801 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 t -95.5 123.95 39.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.0 ttt85 -64.89 -165.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.443 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 2.8 t -176.73 173.09 2.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.751 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.41 -178.46 5.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.844 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.467 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 20.7 tttt -46.88 -48.7 21.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.423 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.409 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.3 OUTLIER 176.78 161.41 0.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.963 0.411 . . . . 0.0 111.001 179.824 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.59 -135.19 11.36 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.675 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -113.19 116.91 30.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.807 0.337 . . . . 0.0 111.104 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.461 ' CE2' ' CB ' ' A' ' 19' ' ' GLU . 5.9 t80 -117.61 106.64 13.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.391 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.545 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 9.7 tt0 -46.73 -29.47 1.93 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.756 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.461 ' CB ' ' CE2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -65.58 -45.37 83.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.922 0.391 . . . . 0.0 110.688 179.904 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.0 t -66.7 -56.53 10.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.074 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.545 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -54.4 -31.52 55.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.084 -179.778 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.72 -44.13 70.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.648 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -58.19 -60.15 4.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.0 t -50.24 -57.88 6.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.123 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.21 -39.3 43.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.238 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.14 -24.21 61.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.163 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.43 -33.85 60.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.909 0.385 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 140.04 35.85 0.12 Allowed Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.623 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -139.04 -151.88 0.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 110.604 -0.147 . . . . 0.0 110.604 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -106.49 -44.7 4.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.792 0.33 . . . . 0.0 111.067 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 176.97 -151.54 11.26 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.414 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -167.08 -166.27 25.88 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.2 t -135.74 168.21 19.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 110.974 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.4 t -106.92 128.27 54.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.713 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.421 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -135.62 100.13 4.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.53 -179.548 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.422 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 83.0 t80 47.69 67.08 0.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.887 0.375 . . . . 0.0 111.764 179.102 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.467 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 5.2 m-85 58.93 18.97 6.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.042 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 35' ' ' MET . 28.2 mtpt -113.8 139.41 49.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.817 0.341 . . . . 0.0 110.275 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.8 ' O ' HG22 ' A' ' 6' ' ' VAL . 48.3 t -103.51 106.22 16.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.337 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.7 tttm -112.25 162.59 15.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.279 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.2 m -92.75 -173.36 3.3 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.003 0.43 . . . . 0.0 111.039 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.205 -0.902 . . . . 1.0 111.093 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.779 0.323 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 47.1 ttp180 -178.53 107.78 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.834 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -69.48 -71.05 0.24 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.4 t 58.27 93.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.9 t -85.44 -19.24 31.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.281 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.779 HG22 ' O ' ' A' ' 39' ' ' CYS . 15.0 t -49.52 -46.97 20.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.796 0.331 . . . . 0.0 111.457 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -94.51 -24.92 17.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.065 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -65.52 -66.36 0.56 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.082 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 t -89.55 162.71 15.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.077 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -93.22 -164.92 1.24 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.019 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.449 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 1.9 t -170.13 174.22 5.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.792 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.6 -178.61 5.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.723 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.488 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 6.2 ttmt -50.14 -44.99 52.71 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.741 0.305 . . . . 0.0 111.544 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.411 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 174.35 156.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.043 179.833 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.35 -134.07 11.16 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.76 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -107.93 131.66 54.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.837 0.351 . . . . 0.0 111.068 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.449 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 1.7 t80 -130.9 109.07 10.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.518 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.502 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 1.7 tp60 -49.65 -30.38 8.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.408 -179.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.85 -40.47 87.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.914 0.388 . . . . 0.0 110.711 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.9 t -71.2 -55.42 8.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.012 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.502 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -55.2 -33.3 62.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.012 -179.883 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.408 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 20.5 t70 -69.41 -46.24 67.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.71 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.98 -55.8 30.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.4 t -52.89 -60.17 3.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.593 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -52.6 -29.37 25.48 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.234 -179.589 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.42 ' N ' ' HG3' ' A' ' 25' ' ' LYS . 1.1 t-20 -79.23 -23.62 43.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.857 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.04 -32.06 50.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.821 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 137.05 37.78 0.16 Allowed Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.562 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -141.47 -150.64 0.32 Allowed 'General case' 0 C--N 1.33 -0.246 0 O-C-N 122.866 -0.196 . . . . 0.0 110.688 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -110.5 -52.02 2.82 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.723 0.297 . . . . 0.0 111.101 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -173.5 -152.16 8.66 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.435 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -170.11 -155.59 10.34 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.554 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 t -144.57 164.6 30.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.843 0.354 . . . . 0.0 110.981 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.2 t -107.69 128.76 54.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.784 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.436 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 8.8 mmm -134.41 100.25 4.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.545 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.418 ' CG ' ' O ' ' A' ' 36' ' ' PHE . 8.8 t80 48.4 63.13 2.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.009 0.433 . . . . 0.0 111.636 179.23 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.488 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 7.0 m-85 65.0 17.23 11.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.046 179.187 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 35' ' ' MET . 9.7 mtpt -109.26 139.13 44.59 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.813 0.34 . . . . 0.0 110.24 178.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.779 ' O ' HG22 ' A' ' 6' ' ' VAL . 40.6 t -108.13 98.18 7.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.324 -179.433 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -106.34 162.87 13.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.312 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 7.1 m -98.04 -172.62 2.4 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 120.891 0.377 . . . . 0.0 111.131 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.161 -0.923 . . . . 0.0 111.068 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.804 0.335 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.8 ttt-85 -177.97 107.33 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.91 -71.55 0.5 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 m 56.86 100.54 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.052 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.2 t -75.37 -21.02 58.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.063 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.803 HG22 ' O ' ' A' ' 39' ' ' CYS . 19.4 t -49.17 -54.33 6.06 Favored 'Isoleucine or valine' 0 C--O 1.231 0.13 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.428 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.83 -28.68 24.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.964 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -66.26 -66.25 0.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.982 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.2 t -86.03 153.26 22.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.046 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -87.2 -164.82 1.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.009 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.441 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 2.6 t -172.66 173.08 4.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.681 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.45 178.86 6.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.793 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.466 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 43.8 tttm -46.32 -44.72 16.98 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.367 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.428 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER 174.52 166.54 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.916 0.389 . . . . 0.0 111.077 179.433 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.83 -133.89 11.82 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.705 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -107.16 137.88 44.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.891 0.377 . . . . 0.0 111.045 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.441 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 0.7 OUTLIER -134.47 107.82 7.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.496 179.725 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.477 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 0.9 OUTLIER -45.63 -37.45 5.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.606 -179.528 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -62.91 -46.24 88.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.844 0.354 . . . . 0.0 111.005 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.34 -52.87 63.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.191 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.477 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 4.3 pt20 -55.8 -35.25 66.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.835 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.445 ' N ' ' HG3' ' A' ' 21' ' ' GLN . 26.3 t0 -67.1 -36.38 81.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -68.31 -62.24 1.49 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.185 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.42 ' SG ' ' HB2' ' A' ' 29' ' ' HIS . 6.8 t -47.31 -49.82 23.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.709 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.78 -49.75 67.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.41 179.075 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.69 -25.75 60.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.835 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.42 -31.79 48.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.615 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 129.84 38.27 0.33 Allowed Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.367 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.42 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 74.4 m-70 -134.95 -148.34 0.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.357 0.122 . . . . 0.0 110.971 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -119.05 -38.07 3.11 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-O 120.627 0.251 . . . . 0.0 111.295 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 175.19 -151.88 12.76 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.374 -0.917 . . . . 0.0 112.5 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -171.73 -163.66 26.04 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.575 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.0 t -131.73 163.0 29.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.933 0.397 . . . . 0.0 111.039 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.1 t -109.63 125.23 52.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.802 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.426 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -130.32 99.11 4.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.543 -179.605 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.419 ' CG ' ' O ' ' A' ' 36' ' ' PHE . 22.8 t80 49.07 61.87 2.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.977 0.418 . . . . 0.0 111.46 179.226 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.466 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 6.9 m-85 67.15 15.98 10.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.007 179.378 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 35' ' ' MET . 12.2 mmtt -103.17 140.36 37.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.75 0.31 . . . . 0.0 110.216 178.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.803 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -107.38 91.99 3.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.401 -179.472 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -102.13 161.63 13.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.318 179.432 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.3 m -95.74 -173.11 2.77 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.013 0.435 . . . . 0.0 111.12 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.216 -0.897 . . . . 0.0 111.178 179.914 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.814 0.34 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.9 mtp-105 -134.95 50.7 2.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -59.61 -68.84 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.935 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.03 103.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.7 t -74.36 -14.86 60.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.317 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.791 HG22 ' O ' ' A' ' 39' ' ' CYS . 19.9 t -51.29 -32.4 12.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.789 0.328 . . . . 0.0 111.405 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -117.49 31.34 6.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.0 -51.75 1.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.996 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.0 t -104.86 127.54 52.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.153 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -164.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.257 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.455 ' HA ' ' CE2' ' A' ' 17' ' ' TYR . 2.4 t -174.57 173.32 2.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.451 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.54 -174.91 4.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.651 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.465 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -53.27 -43.34 67.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.792 0.33 . . . . 0.0 111.097 -179.741 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.441 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 171.54 160.47 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.927 0.394 . . . . 0.0 111.005 179.621 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.1 -133.66 11.56 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.918 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -99.59 143.52 29.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.896 0.379 . . . . 0.0 111.256 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.455 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 3.1 t80 -153.38 101.7 2.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.373 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.507 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 10.4 tt0 -47.76 -29.2 2.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.614 -179.305 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -63.99 -48.35 76.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.97 0.414 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.5 t -66.24 -56.37 11.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.159 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.507 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -55.27 -32.26 62.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.234 -179.651 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -68.25 -45.37 73.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.69 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -58.42 -61.78 2.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.987 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.5 t -47.86 -55.58 9.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.053 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.85 -31.9 60.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.963 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -75.57 -23.63 56.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.174 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.77 -47.01 19.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.912 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 156.44 38.05 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.319 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 -140.34 -150.94 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.414 0.15 . . . . 0.0 110.765 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -110.48 -40.28 4.67 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.769 0.319 . . . . 0.0 111.04 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 174.62 -150.71 11.61 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.467 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -168.32 -163.64 22.64 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.528 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.6 t -139.59 160.92 38.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.824 0.345 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.3 t -99.82 129.24 45.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.726 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.422 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 15.3 mtt -134.52 94.8 3.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.399 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.413 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 78.4 t80 49.42 62.89 2.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.032 0.444 . . . . 0.0 111.385 179.477 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.465 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 5.2 m-85 63.9 17.07 10.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.963 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 35' ' ' MET . 0.4 OUTLIER -111.44 121.83 46.23 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.834 0.35 . . . . 0.0 110.21 179.034 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.791 ' O ' HG22 ' A' ' 6' ' ' VAL . 49.1 t -89.9 100.24 13.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.33 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.5 tttm -106.69 162.32 13.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.26 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.5 m -92.54 -173.38 3.35 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.996 0.427 . . . . 0.0 111.162 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.152 -0.928 . . . . 0.0 111.05 179.963 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.839 0.352 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.9 mtp180 -116.65 60.93 0.73 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.4 -30.52 11.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 74.2 m -114.01 26.86 9.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.153 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.0 t 55.3 24.39 6.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.176 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.2 t -63.56 -51.43 70.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.488 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.76 25.67 9.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.277 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -115.7 -46.67 2.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.881 0.372 . . . . 0.0 110.768 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.8 t -115.42 143.03 45.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.713 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.64 152.47 25.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.022 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.8 t -135.72 172.11 13.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.641 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.32 -177.14 5.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.687 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.486 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 13.6 tttp -46.55 -46.29 19.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.399 -179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.431 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.2 OUTLIER 176.68 162.83 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 111.013 179.607 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 115.41 -134.39 11.53 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.817 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -115.98 131.23 57.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.871 0.367 . . . . 0.0 111.306 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -135.35 109.02 7.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.327 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.528 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 13.3 tt0 -45.09 -31.8 1.52 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.662 -179.285 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.33 -44.01 96.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.821 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.5 t -69.43 -57.49 5.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.091 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.528 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -53.82 -32.22 51.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.064 -179.774 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 27.8 t70 -69.58 -45.94 67.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.569 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -56.91 -56.01 27.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.01 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.4 t -53.58 -61.43 2.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.597 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 26' ' ' ASN . 2.5 pttp -50.61 -30.35 13.15 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.374 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.441 ' N ' ' HG3' ' A' ' 25' ' ' LYS . 2.1 t-20 -80.05 -23.11 41.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.828 0.347 . . . . 0.0 110.847 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.66 -32.88 58.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 139.43 37.1 0.12 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.552 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 61.2 m-70 -140.24 -150.98 0.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.427 0.156 . . . . 0.0 110.673 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -109.66 -49.43 3.1 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.747 0.308 . . . . 0.0 111.039 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -171.32 -157.97 14.32 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.305 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -162.76 -166.41 21.5 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.534 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.496 HG23 ' SD ' ' A' ' 35' ' ' MET . 6.2 t -138.13 173.28 11.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.955 0.407 . . . . 0.0 111.043 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.2 t -113.27 126.31 55.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.496 ' SD ' HG23 ' A' ' 33' ' ' THR . 0.0 OUTLIER -135.27 101.37 4.82 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.971 -179.635 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.426 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 83.4 t80 47.06 64.58 1.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 112.015 178.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.486 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 4.4 m-85 62.76 19.46 11.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.833 179.035 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -114.1 139.65 49.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.845 0.355 . . . . 0.0 110.383 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.5 t -103.19 99.77 9.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.987 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -103.53 166.37 10.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.42 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.0 m -101.07 -172.28 2.14 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 120.968 0.413 . . . . 0.0 110.984 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.239 -0.886 . . . . 1.0 111.057 -179.948 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.803 0.335 . . . . 0.0 111.249 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -179.24 107.75 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.24 -79.27 0.61 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.801 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.4 m 51.23 91.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.111 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 94.8 m -60.37 -29.1 68.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.5 t -50.37 -35.75 12.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.418 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.54 37.59 4.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.2 ttpp -125.75 -50.75 1.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 t -108.38 152.3 24.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -88.32 156.62 19.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.471 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 2.0 t -136.89 171.24 14.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.53 -178.44 5.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.699 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.48 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 28.6 tttt -47.07 -42.83 19.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.75 0.309 . . . . 0.0 111.335 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.429 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 171.42 165.26 0.09 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.953 0.406 . . . . 0.0 110.901 179.557 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.19 -133.75 11.84 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.609 -0.805 . . . . 0.0 113.021 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.464 ' CZ ' ' HG3' ' A' ' 21' ' ' GLN . 3.9 t80 -103.77 139.07 39.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.875 0.369 . . . . 0.0 111.257 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.471 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 1.4 t80 -145.89 110.38 5.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.452 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.78 -32.89 3.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.75 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.448 ' HB2' ' CD2' ' A' ' 17' ' ' TYR . 8.3 mt-10 -63.41 -64.14 0.99 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.078 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.1 t -52.72 -49.18 65.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.006 0.431 . . . . 0.0 110.955 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.464 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 1.1 mm100 -53.15 -54.52 34.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.194 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.447 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 61.4 m-20 -59.63 -29.79 68.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.887 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -63.53 -57.69 9.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.238 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.451 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 3.1 t -59.89 -63.29 1.35 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.405 -179.609 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -41.97 -54.32 3.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.565 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 1.7 t-20 -66.78 -26.55 67.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.741 0.305 . . . . 0.0 111.071 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 24' ' ' CYS . . . -65.27 -31.04 71.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.676 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 137.75 -3.86 3.23 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.952 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 53.9 m-70 -102.71 -147.49 0.37 Allowed 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.704 0.252 . . . . 0.0 110.7 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -107.22 -52.18 2.8 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.786 0.327 . . . . 0.0 111.01 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.42 ' HA3' ' OE1' ' A' ' 21' ' ' GLN . . . -175.46 -163.12 27.83 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.174 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -157.61 -174.39 27.26 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.582 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.3 t -130.72 159.4 37.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.907 0.384 . . . . 0.0 111.037 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.4 t -100.69 123.91 45.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.774 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.4 ' O ' ' CB ' ' A' ' 38' ' ' LYS . 2.4 mmt -131.23 102.9 6.18 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.507 -179.548 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.426 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 92.7 t80 45.37 71.75 0.26 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.907 179.187 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.48 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 5.0 m-85 55.4 21.32 4.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.924 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.4 ' CB ' ' O ' ' A' ' 35' ' ' MET . 8.5 tttt -114.54 140.35 48.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.802 0.334 . . . . 0.0 110.517 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.6 t -106.29 100.34 9.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.06 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.4 tptt -110.02 163.85 13.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.59 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.1 m -102.54 -171.2 1.92 Allowed 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 120.904 0.383 . . . . 0.0 111.048 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.266 -0.874 . . . . 1.0 111.141 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.2 t0 . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.83 0.347 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -111.07 37.06 2.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -85.07 -71.64 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.7 p 50.03 84.94 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.4 t -63.42 -26.41 68.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 39' ' ' CYS . 11.3 t -51.68 -36.47 18.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.302 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.05 36.7 4.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.823 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.62 -55.5 0.95 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 t -91.41 154.54 19.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -84.13 152.3 24.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -133.28 165.69 24.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.477 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.82 -179.11 5.66 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.413 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.448 ' HG2' ' CE2' ' A' ' 14' ' ' TYR . 42.5 tttt -50.69 -42.42 56.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.86 0.362 . . . . 0.0 110.682 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.448 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 172.59 153.68 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.861 179.35 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.47 -145.0 18.26 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.956 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 17' ' ' TYR . 6.0 t80 -95.62 152.68 18.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.808 0.337 . . . . 0.0 111.184 -179.683 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.453 ' CE2' ' CB ' ' A' ' 19' ' ' GLU . 4.4 t80 -157.5 104.35 2.0 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.604 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -47.29 -32.22 4.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.464 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.453 ' CB ' ' CE2' ' A' ' 17' ' ' TYR . 0.4 OUTLIER -57.28 -61.2 2.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.727 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -55.08 -37.8 67.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.643 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.4 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -54.84 -56.12 22.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.684 179.662 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.489 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 1.6 m-20 -55.88 -36.93 68.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.543 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 t -58.83 -61.27 2.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.33 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.44 -58.99 5.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.803 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 26' ' ' ASN . 1.5 pttp -50.43 -33.09 19.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.29 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.489 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 0.9 OUTLIER -76.1 -26.23 56.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.892 0.377 . . . . 0.0 110.487 179.402 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.74 -28.48 60.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.826 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 130.6 34.4 0.45 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.749 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 -140.69 -151.11 0.35 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.545 0.212 . . . . 0.0 110.748 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -103.98 -57.81 1.98 Allowed 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.735 0.302 . . . . 0.0 111.241 -179.601 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -169.67 -157.31 11.88 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.363 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -164.81 -168.91 27.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.629 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.4 t -140.45 156.29 46.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.776 0.322 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 m -94.26 116.41 28.8 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.643 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.6 mmm -117.2 100.42 7.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.022 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 41.3 t80 49.62 61.49 3.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.967 0.413 . . . . 0.0 111.316 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.432 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 5.5 m-85 64.27 18.56 11.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.775 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.41 137.29 48.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.756 0.313 . . . . 0.0 110.495 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.518 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -95.65 89.46 5.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.249 -179.634 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.25 162.82 13.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.709 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.1 m -104.3 -170.68 1.8 Allowed 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.962 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.297 -0.859 . . . . 0.0 111.127 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 120.807 0.337 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 52.99 93.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.078 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -81.57 -73.37 0.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.5 m 54.39 82.39 0.09 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.98 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -59.21 -20.93 58.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.071 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 39' ' ' CYS . 3.8 p -51.31 -45.89 33.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.066 0.46 . . . . 0.0 111.021 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.468 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 3.8 t70 -110.57 30.03 7.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.9 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.09 -65.58 0.98 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.769 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.1 t -90.73 150.7 21.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.746 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -77.23 -165.09 0.53 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.428 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 2.0 t -174.99 176.23 2.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.567 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.49 -174.66 4.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.724 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.425 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 4.0 ttmt -58.24 -43.46 87.79 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.764 0.316 . . . . 0.0 111.192 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.1 OUTLIER 176.21 153.32 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 111.045 179.898 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 120.24 -134.51 10.46 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.705 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -109.31 133.13 53.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 0.0 111.047 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.428 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 1.4 t80 -133.62 110.77 10.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.573 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.521 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 5.4 tt0 -48.5 -28.47 3.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.47 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -66.34 -40.45 89.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.823 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -71.71 -53.39 13.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.521 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -58.18 -32.2 68.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.846 0.355 . . . . 0.0 111.02 -179.89 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -73.02 -39.16 66.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.579 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -62.81 -58.46 7.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.796 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.6 t -54.17 -55.12 30.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.23 -39.48 30.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.093 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -74.79 -24.55 58.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.063 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.57 -30.03 62.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.969 0.414 . . . . 0.0 110.795 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 134.01 34.67 0.29 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.484 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -140.03 -150.27 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.411 0.148 . . . . 0.0 110.666 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -107.28 -46.77 3.8 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.772 0.32 . . . . 0.0 111.006 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.87 -151.34 10.24 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.507 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -167.51 -162.41 19.25 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.6 t -139.23 165.04 28.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.856 0.36 . . . . 0.0 110.979 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.8 t -105.78 127.7 53.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.746 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.503 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -132.54 92.61 3.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.706 -179.414 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.421 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 74.6 t80 51.93 62.71 2.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.924 0.393 . . . . 0.0 111.785 178.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.425 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 4.0 m-85 65.36 8.42 4.95 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.316 0.488 . . . . 0.0 112.316 179.14 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.503 ' HB2' ' O ' ' A' ' 35' ' ' MET . 0.0 OUTLIER -105.96 126.32 52.05 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 120.885 0.374 . . . . 0.0 110.206 179.416 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.633 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -89.89 117.74 28.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.507 -179.161 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.61 159.95 28.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.19 179.375 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.8 m -95.8 -173.08 2.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.053 0.454 . . . . 0.0 111.041 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.245 -0.883 . . . . 1.0 111.089 179.945 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.7 t0 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.794 0.33 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 58.5 32.05 21.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.965 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -59.07 -70.06 0.17 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 m 55.63 99.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.955 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 96.3 m -59.58 -27.77 66.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.968 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.602 HG22 ' O ' ' A' ' 39' ' ' CYS . 14.7 t -52.34 -31.98 15.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.328 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.4 29.26 8.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -137.39 -58.64 0.69 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.8 t -91.28 112.99 25.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -164.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.2 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.459 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 0.8 OUTLIER -171.45 176.16 3.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.717 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.66 -176.36 4.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.44 ' HG2' ' CE2' ' A' ' 14' ' ' TYR . 72.6 tttt -52.51 -43.26 64.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.171 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.44 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER 178.76 168.34 0.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.952 0.406 . . . . 0.0 111.065 179.7 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.92 -137.48 13.95 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.61 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -113.69 133.04 55.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.895 0.379 . . . . 0.0 110.92 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.462 ' CE2' ' HB2' ' A' ' 19' ' ' GLU . 4.0 t80 -130.78 106.27 8.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.429 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.517 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 0.2 OUTLIER -45.87 -30.19 1.63 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.571 -179.526 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.462 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -66.02 -40.9 91.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.87 0.367 . . . . 0.0 110.517 179.801 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.4 t -69.85 -56.35 7.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.865 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.517 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -56.33 -31.49 63.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -68.23 -46.75 69.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.619 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.2 t -58.83 -59.71 5.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.837 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 18.9 t -46.92 -56.25 6.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.299 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.65 -35.63 66.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.774 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.34 -24.51 63.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.078 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.96 -39.75 33.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.823 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 146.36 37.93 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.511 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 -139.51 -150.2 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.444 0.164 . . . . 0.0 110.785 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -114.75 -48.11 2.86 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.681 0.277 . . . . 0.0 111.4 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -175.13 -149.8 7.49 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.468 -0.873 . . . . 0.0 112.393 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.412 ' HA3' ' O ' ' A' ' 40' ' ' LYS . . . -177.33 -169.49 38.52 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.748 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.5 t -117.86 163.33 16.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.73 0.3 . . . . 0.0 110.72 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 47.5 t -117.93 117.47 29.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.908 0.385 . . . . 0.0 111.304 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.656 ' O ' ' N ' ' A' ' 37' ' ' PHE . 24.8 mtp -102.75 -162.88 0.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.571 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.429 ' O ' ' HB2' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -53.69 70.09 0.0 OUTLIER 'General case' 0 C--O 1.231 0.117 0 CA-C-O 121.396 0.617 . . . . 0.0 111.053 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.656 ' N ' ' O ' ' A' ' 35' ' ' MET . 4.1 m-85 67.24 33.09 5.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.392 -179.411 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -123.31 133.38 54.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.655 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.602 ' O ' HG22 ' A' ' 6' ' ' VAL . 46.4 t -100.75 107.8 19.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.002 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.412 ' O ' ' HA3' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -118.18 156.84 28.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.444 179.64 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 12.4 m -88.27 -174.13 4.5 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 120.998 0.427 . . . . 0.0 111.144 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.291 -0.861 . . . . 1.0 111.092 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.817 0.341 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.24 32.13 3.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.44 -82.5 0.43 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.003 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.8 m 53.04 66.23 1.29 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.901 0.382 . . . . 0.0 111.025 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.49 -28.33 69.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.082 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 39' ' ' CYS . 3.3 p -41.1 -45.97 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 CA-C-O 121.027 0.441 . . . . 0.0 111.583 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.459 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 1.1 t0 -116.74 39.97 3.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.795 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -129.9 -46.63 1.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.965 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 t -103.26 149.36 24.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.3 ttm-85 -86.24 152.82 22.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.918 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.445 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 1.6 t -131.22 174.06 10.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.813 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.4 -172.33 3.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.743 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.516 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 0.7 OUTLIER -57.12 -43.21 82.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.411 -179.609 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.436 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.1 OUTLIER 174.16 155.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.922 0.391 . . . . 0.0 111.185 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.75 -136.51 12.81 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.859 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -107.08 126.33 52.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.852 0.358 . . . . 0.0 111.131 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.445 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 1.2 t80 -123.35 112.3 17.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.417 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.521 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 0.5 OUTLIER -51.05 -26.66 6.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.38 -179.649 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.66 -40.65 72.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.767 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -48.15 53.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.071 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.521 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -62.57 -32.0 72.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.834 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.52 -44.84 70.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.743 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -58.45 -61.0 2.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.5 t -51.13 -56.8 10.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.232 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.08 -39.26 41.92 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.971 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.28 -25.75 63.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.943 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.28 -31.47 60.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.783 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 134.89 35.32 0.25 Allowed Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.613 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -137.19 -151.39 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 O-C-N 122.906 -0.173 . . . . 0.0 110.61 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -104.3 -50.8 3.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.732 0.301 . . . . 0.0 111.085 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -174.95 -156.09 13.62 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.535 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.11 170.58 33.83 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.783 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.4 t -112.06 165.45 12.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.895 0.379 . . . . 0.0 110.87 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.3 t -116.21 121.84 43.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.414 ' O ' ' CB ' ' A' ' 38' ' ' LYS . 0.8 OUTLIER -127.96 100.75 6.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.619 -179.617 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.427 ' HA ' ' O ' ' A' ' 13' ' ' LYS . 85.6 t80 43.46 75.85 0.09 Allowed 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 178.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.516 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 3.9 m-85 54.76 20.12 2.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.939 179.192 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 35' ' ' MET . 8.6 tttm -114.86 134.87 54.79 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.747 0.308 . . . . 0.0 110.176 179.146 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.672 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -102.75 124.26 47.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.959 0.409 . . . . 0.0 111.305 -179.343 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.95 166.58 23.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.376 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.3 m -92.28 -173.96 3.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.124 0.487 . . . . 0.0 111.104 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.248 -0.882 . . . . 1.0 111.177 179.955 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.852 0.358 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -158.96 98.05 1.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.23 -81.65 0.31 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.69 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 65.8 m 53.06 97.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.15 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 57.8 m -64.12 -16.92 62.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.109 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.809 HG22 ' O ' ' A' ' 39' ' ' CYS . 17.7 t -51.03 -40.58 21.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 120.877 0.37 . . . . 0.0 111.401 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.48 -28.2 13.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.93 -65.39 0.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.028 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 t -94.12 145.05 24.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.066 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -89.33 165.28 14.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.45 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 2.4 t -141.77 168.72 19.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.967 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.63 -169.28 2.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.931 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.522 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 1.2 ttpt -47.2 -59.59 3.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.382 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.447 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -177.93 162.0 1.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.01 179.674 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.39 -132.15 10.59 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.648 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -107.45 135.0 49.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.876 0.369 . . . . 0.0 111.106 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.45 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 3.8 t80 -138.59 109.51 6.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.435 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.532 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 0.2 OUTLIER -47.21 -30.4 2.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.596 -179.452 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.448 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 1.9 tt0 -67.03 -45.1 78.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.934 0.397 . . . . 0.0 110.843 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.92 -52.62 34.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.2 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.532 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -58.02 -30.33 66.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.006 -179.834 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.06 -41.39 67.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.595 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -60.11 -60.38 3.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.926 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.3 t -53.76 -55.47 26.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.954 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.09 -42.41 28.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.609 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.19 -27.29 66.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.728 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.57 -32.74 70.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.797 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 141.47 -7.66 2.55 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.64 -0.791 . . . . 0.0 113.09 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -94.7 -146.68 0.26 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.889 0.345 . . . . 0.0 110.781 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -109.35 -45.57 3.7 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.699 0.285 . . . . 0.0 111.213 -179.605 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -177.19 -157.07 17.37 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.477 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.45 174.52 34.22 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.68 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 t -119.08 161.68 19.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.92 0.39 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.9 t -102.82 126.59 50.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.834 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 40.3 mtp -132.86 94.02 3.3 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.689 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.413 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 78.8 t80 49.01 64.53 1.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.762 179.147 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.522 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 7.4 m-85 62.49 16.73 8.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.019 179.119 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -111.44 125.63 54.08 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 178.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.809 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -89.92 109.94 20.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.416 -179.157 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.98 165.58 13.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.223 179.397 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.1 m -96.83 -172.95 2.58 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 121.03 0.443 . . . . 0.0 111.078 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.28 -0.867 . . . . 0.0 111.123 179.973 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.768 0.318 . . . . 0.0 111.264 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 17.7 mtp85 -148.96 51.42 0.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.81 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.78 -76.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.9 m 54.59 85.71 0.06 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.064 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 32.6 m -65.14 -27.68 68.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.972 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.508 HG22 ' O ' ' A' ' 39' ' ' CYS . 16.2 t -51.2 -40.88 23.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.867 0.365 . . . . 0.0 111.245 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.25 25.59 9.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.78 -50.54 1.24 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.15 131.24 44.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.6 ttt85 -77.97 153.83 32.1 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -129.55 165.44 21.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.06 178.54 6.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.62 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.441 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 15.3 tttt -42.28 -44.0 3.67 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.416 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.44 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER 173.82 160.56 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.963 0.411 . . . . 0.0 111.225 179.352 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.39 -137.27 14.05 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.929 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 17' ' ' TYR . 13.9 t80 -110.35 155.09 22.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 0.0 111.003 -179.691 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.463 ' CE2' ' CB ' ' A' ' 19' ' ' GLU . 4.4 t80 -159.32 111.08 2.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.478 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.512 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -48.54 -28.36 3.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.532 -179.483 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.463 ' CB ' ' CE2' ' A' ' 17' ' ' TYR . 0.9 OUTLIER -65.63 -51.1 62.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.796 0.332 . . . . 0.0 111.026 -179.883 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.4 t -64.25 -56.14 16.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.948 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.512 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -54.76 -31.25 58.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 -179.877 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.0 -43.81 74.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.718 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.2 t -58.65 -59.27 5.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.858 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.7 t -50.34 -57.07 8.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.101 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.76 -42.32 62.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.223 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -67.87 -25.4 65.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.229 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.3 -34.67 61.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.979 0.418 . . . . 0.0 110.785 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 139.56 35.27 0.14 Allowed Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.633 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -138.16 -151.58 0.39 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.558 0.218 . . . . 0.0 110.623 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -106.67 -49.84 3.24 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.752 0.311 . . . . 0.0 111.148 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 179.99 -150.9 9.5 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.481 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -168.79 -156.87 10.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.475 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.5 t -150.18 152.85 35.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.869 0.366 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.9 m -91.72 119.21 31.36 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.6 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.405 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 5.9 mtt -123.03 106.41 10.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 18.7 t80 47.99 62.72 2.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.625 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.441 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 4.7 m-85 60.72 22.01 11.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.95 179.234 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 35' ' ' MET . 1.6 mtpt -116.64 146.58 42.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.673 0.273 . . . . 0.0 110.31 179.114 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.508 ' O ' HG22 ' A' ' 6' ' ' VAL . 51.6 t -108.29 98.6 8.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.936 0.398 . . . . 0.0 111.333 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -106.63 161.69 14.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.406 179.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.3 m -92.1 -173.06 3.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.982 0.42 . . . . 0.0 111.038 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.268 -0.873 . . . . 1.0 111.137 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.815 0.34 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.4 tpm_? 64.14 108.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.07 -76.29 0.37 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.747 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.82 102.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.76 -15.62 63.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.306 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.2 t -46.71 -30.43 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-O 120.841 0.353 . . . . 0.0 111.607 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -125.37 34.91 4.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.61 -59.41 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.7 t -97.23 151.35 19.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.006 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.0 ttt85 -86.79 164.58 16.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.97 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.3 t -141.54 172.39 12.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.777 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.43 -172.53 3.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.976 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.519 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 28.3 tttp -54.63 -41.29 69.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.331 -179.605 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.411 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.2 OUTLIER 171.68 158.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 0.0 111.061 179.715 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 115.66 -133.99 11.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.871 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -112.58 125.41 54.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.796 0.332 . . . . 0.0 111.142 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -123.04 109.65 14.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.401 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.518 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 0.6 OUTLIER -44.53 -41.37 6.39 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.815 -179.328 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -58.83 -41.69 87.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.885 0.374 . . . . 0.0 110.958 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.39 -55.1 20.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.206 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.518 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -57.02 -29.18 63.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.114 -179.69 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.428 ' N ' ' HG3' ' A' ' 21' ' ' GLN . 1.9 t70 -70.4 -44.11 68.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -61.26 -57.7 11.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.111 0.482 . . . . 0.0 110.847 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.3 t -51.03 -58.16 6.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.321 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.7 ptmm? -52.0 -35.55 47.05 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 0.7 OUTLIER -71.28 -25.33 62.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.747 179.803 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.38 -32.44 54.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 136.87 36.58 0.18 Allowed Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.633 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -138.53 -152.13 0.41 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.472 0.177 . . . . 0.0 110.726 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -104.23 -55.91 2.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.737 0.303 . . . . 0.0 111.078 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -166.54 -160.44 13.77 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.343 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -151.18 173.84 30.54 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.653 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.1 t -120.69 171.65 8.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.971 0.415 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.5 t -116.69 123.03 46.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.821 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.543 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 70.9 mtp -127.5 89.59 2.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.593 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.426 ' HA ' ' O ' ' A' ' 13' ' ' LYS . 78.0 t80 52.42 60.59 3.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.002 0.43 . . . . 0.0 111.501 179.238 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.519 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 6.3 m-85 71.65 6.93 5.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.327 179.16 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.543 ' HB2' ' O ' ' A' ' 35' ' ' MET . 9.6 mmtt -100.4 125.53 46.69 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.817 0.341 . . . . 0.0 110.334 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.79 99.04 12.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.223 -179.47 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.12 172.18 6.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.424 179.479 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.9 m -101.15 -172.26 2.14 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.057 0.456 . . . . 0.0 111.083 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.222 -0.894 . . . . 1.0 111.002 -179.884 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.766 0.317 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.1 tpp180 -178.14 107.38 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -82.03 -74.0 0.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 54.62 90.88 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.116 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.4 m -71.64 -13.49 61.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.256 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.465 ' CG1' ' N ' ' A' ' 7' ' ' ASP . 3.2 p -52.44 -45.43 45.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 121.057 0.456 . . . . 0.0 111.228 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.465 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -97.97 -21.55 16.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.993 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -70.83 -67.28 0.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.719 0.295 . . . . 0.0 110.964 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 t -92.58 151.82 19.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.961 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -91.25 165.63 13.36 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.774 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.488 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 1.7 t -141.15 170.03 16.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.897 0.379 . . . . 0.0 111.108 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.7 -171.83 3.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.787 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.468 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 16.0 tttt -51.98 -42.78 63.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.311 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.425 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.2 OUTLIER 171.66 161.67 0.1 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.848 0.356 . . . . 0.0 111.116 179.802 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 109.01 -158.44 14.6 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.926 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -84.21 114.26 21.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.879 0.371 . . . . 0.0 111.223 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.488 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 2.8 t80 -115.42 97.39 6.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.026 179.154 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -40.71 -32.58 0.22 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.753 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -59.88 -50.17 74.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.963 0.411 . . . . 0.0 110.675 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.63 -41.0 96.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.914 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -46.06 86.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.816 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -63.93 -37.34 87.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.668 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -59.61 -60.11 4.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 4.3 t -56.18 -54.12 49.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.06 -48.7 33.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.879 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.93 -28.16 69.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.777 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 24' ' ' CYS . . . -68.64 -32.5 72.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.778 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 140.02 -5.01 2.71 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.724 -0.75 . . . . 0.0 113.035 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 -100.48 -147.49 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.831 0.315 . . . . 0.0 110.728 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -109.76 -49.64 3.07 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.665 0.269 . . . . 0.0 111.227 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -174.26 -152.3 8.96 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.588 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -164.19 -165.34 21.25 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.698 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 t -136.25 165.22 26.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.918 0.389 . . . . 0.0 111.064 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.4 t -107.56 124.89 50.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.4 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 0.5 OUTLIER -131.26 92.77 3.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.498 -179.748 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.416 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 79.6 t80 49.56 63.11 2.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.005 0.431 . . . . 0.0 111.365 179.384 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.468 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 6.1 m-85 65.77 15.32 10.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.836 179.447 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 35' ' ' MET . 25.1 mmmt -105.22 123.54 48.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.839 0.352 . . . . 0.0 110.412 179.197 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.91 97.98 11.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -106.99 163.11 13.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.488 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.9 m -102.33 -171.62 1.99 Allowed 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 120.963 0.411 . . . . 0.0 110.923 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.222 -0.894 . . . . 1.0 111.096 179.991 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.842 0.353 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 -98.4 37.45 1.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.746 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.61 -73.22 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.989 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.9 t -175.05 -108.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.979 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.1 t -175.36 -32.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.07 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.808 HG22 ' O ' ' A' ' 39' ' ' CYS . 17.5 t -42.66 -35.52 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.649 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -119.21 35.91 4.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.772 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.5 ttpp -134.7 -52.69 0.81 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 t -103.24 150.47 23.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -87.15 164.91 16.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.451 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 2.2 t -144.41 170.07 16.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.41 -173.06 3.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.641 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.495 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 53.8 tttt -49.26 -48.61 45.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.726 0.298 . . . . 0.0 111.213 -179.705 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.435 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 172.98 164.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 110.961 179.67 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.31 -133.62 11.7 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.797 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.454 ' CZ ' ' HG3' ' A' ' 21' ' ' GLN . 1.9 t80 -103.27 131.04 50.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.982 0.42 . . . . 0.0 111.214 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.451 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 2.0 t80 -137.23 101.5 4.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.12 179.537 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -42.79 -34.19 0.89 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.0 -179.219 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.444 ' HB2' ' CD2' ' A' ' 17' ' ' TYR . 15.9 mt-10 -59.44 -57.83 11.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.962 0.411 . . . . 0.0 110.842 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.89 -36.56 74.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.966 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.454 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -59.72 -56.63 19.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.018 -179.901 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.453 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 43.7 m-20 -56.53 -35.24 67.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.959 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.39 -57.47 12.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.294 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.8 t -58.72 -62.92 1.5 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.895 -179.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 26' ' ' ASN . 9.7 pttm -44.55 -45.9 9.62 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.857 -179.215 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.453 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 0.7 OUTLIER -71.83 -24.77 61.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 111.043 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.23 -28.97 64.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 132.94 31.74 0.43 Allowed Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.75 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 -139.36 -151.99 0.4 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.581 0.229 . . . . 0.0 110.668 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -103.79 -57.56 2.02 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.797 0.332 . . . . 0.0 111.134 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -164.84 -162.26 15.52 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.215 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.79 176.74 33.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.566 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.4 t -129.14 164.84 22.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.9 t -104.29 132.13 50.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.433 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -137.22 96.62 3.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.642 -179.587 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.4 t80 48.6 65.22 1.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.859 0.361 . . . . 0.0 111.71 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.495 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 6.2 m-85 60.33 18.35 7.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.99 179.121 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 35' ' ' MET . 0.8 OUTLIER -111.94 132.26 54.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.771 0.319 . . . . 0.0 110.353 179.15 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.808 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -89.93 111.52 22.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.989 -179.475 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.05 163.83 17.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.603 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 m -104.53 -170.43 1.76 Allowed 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.917 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.232 -0.889 . . . . 1.0 111.071 179.963 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.808 0.337 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -177.36 107.36 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.805 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.53 -71.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.954 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.2 m 60.15 92.32 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 93.1 m -69.03 -12.68 61.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.363 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 39' ' ' CYS . 14.0 t -53.85 -47.07 64.14 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-O 120.859 0.361 . . . . 0.0 111.331 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -108.77 30.26 6.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 ttpp -131.27 -50.64 1.01 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 t -103.17 109.59 21.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.76 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -54.99 -179.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.292 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.445 ' HA ' ' CE2' ' A' ' 17' ' ' TYR . 2.4 t -160.97 173.22 15.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.628 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.4 -177.7 5.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.693 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.476 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 4.8 tttp -45.89 -45.59 15.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.724 0.297 . . . . 0.0 111.315 -179.634 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.424 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 172.17 161.97 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.965 179.577 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 109.72 -136.74 13.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.897 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.447 ' CZ ' ' HG3' ' A' ' 21' ' ' GLN . 3.3 t80 -98.05 136.84 37.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 0.0 111.05 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.447 ' CD2' ' HB2' ' A' ' 19' ' ' GLU . 2.3 t80 -143.24 110.36 5.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.591 179.727 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -50.39 -30.65 12.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.359 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.447 ' HB2' ' CD2' ' A' ' 17' ' ' TYR . 1.7 mt-10 -65.22 -52.21 56.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.787 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.0 t -60.13 -51.32 70.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.713 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.447 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 7.5 mm100 -53.0 -52.12 59.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.251 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 11.9 m-20 -55.5 -40.03 71.21 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.185 -179.528 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -64.49 -56.27 15.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.303 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.409 ' SG ' ' HB2' ' A' ' 29' ' ' HIS . 8.7 t -46.12 -61.67 1.67 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.579 -179.565 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -53.55 -44.17 69.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.181 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 1.0 OUTLIER -59.77 -27.75 66.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.018 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.23 -32.63 49.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.004 0.431 . . . . 0.0 110.637 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 131.46 38.15 0.28 Allowed Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.178 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.43 ' HB3' ' H ' ' A' ' 30' ' ' ASN . 55.6 m-70 -130.77 -153.57 0.57 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 -179.569 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.43 ' H ' ' HB3' ' A' ' 29' ' ' HIS . 3.0 m120 -120.68 -39.09 2.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.709 0.29 . . . . 0.0 111.059 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.77 -177.7 45.94 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.977 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -152.87 -161.37 10.24 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 t -144.45 155.91 43.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.995 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.3 t -97.48 128.84 44.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.695 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.498 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 5.5 mmm -137.09 97.83 3.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.679 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.419 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 85.9 t80 49.84 64.52 1.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.983 178.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.476 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 6.2 m-85 62.53 13.31 6.11 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 178.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 35' ' ' MET . 1.6 mttt -110.79 137.36 48.55 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 120.775 0.321 . . . . 0.0 110.212 179.182 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.473 ' O ' HG22 ' A' ' 6' ' ' VAL . 40.9 t -103.24 112.8 25.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.342 -179.204 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.9 tttm -118.95 161.44 20.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.306 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.9 m -102.34 -172.55 2.15 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 120.976 0.417 . . . . 0.0 110.941 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.213 -0.898 . . . . 0.0 111.133 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.5 t0 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.734 0.302 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 24.4 mtp180 56.92 103.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.989 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.13 -69.58 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.517 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 m 57.22 96.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.95 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 85.8 m -73.67 -16.82 61.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.224 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 39' ' ' CYS . 3.2 p -53.05 -46.68 54.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 121.043 0.449 . . . . 0.0 111.212 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.467 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 0.7 OUTLIER -94.81 -29.48 14.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.973 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.46 -56.35 5.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.988 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.9 t -95.57 144.52 25.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.971 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -92.59 166.46 12.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.846 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.478 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 2.0 t -144.53 169.26 18.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.95 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.43 -171.83 3.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.834 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.505 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 24.1 tttt -48.28 -49.38 33.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.399 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.441 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 176.12 164.25 0.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.947 0.403 . . . . 0.0 111.168 179.759 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.411 ' N ' ' HB3' ' A' ' 34' ' ' CYS . . . 106.11 -156.7 16.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.762 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -83.66 120.5 26.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.011 0.434 . . . . 0.0 111.359 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.478 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 5.4 t80 -123.92 97.96 5.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.985 179.034 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -40.73 -31.5 0.16 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.937 -179.257 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.73 -49.48 74.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.911 0.386 . . . . 0.0 110.73 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.09 -41.78 85.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.074 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -47.42 84.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.16 -38.93 93.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.73 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -59.13 -60.37 3.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.146 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.0 t -51.95 -59.24 4.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.34 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.77 -39.73 18.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.21 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.38 -24.68 61.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.037 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.49 -31.03 62.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.012 0.434 . . . . 0.0 110.783 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 133.56 35.03 0.29 Allowed Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.571 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -138.41 -150.56 0.34 Allowed 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 120.451 0.167 . . . . 0.0 110.677 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -107.3 -53.95 2.55 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.758 0.313 . . . . 0.0 111.036 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -168.73 -158.61 12.89 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.33 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -157.91 -174.5 27.7 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.656 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 t -133.62 161.9 33.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.91 0.386 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.411 ' HB3' ' N ' ' A' ' 15' ' ' GLY . 2.4 t -103.76 123.56 47.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.773 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.2 mmt -130.38 97.36 4.39 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.622 -179.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.433 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 89.5 t80 45.32 73.15 0.17 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.911 179.175 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.505 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 7.7 m-30 53.94 20.88 2.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.976 179.376 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.8 tttp -116.16 127.41 54.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.79 0.329 . . . . 0.0 110.285 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.578 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -89.85 113.8 25.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.194 -179.439 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.32 163.91 18.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.502 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.0 m -101.66 -171.54 2.0 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 120.9 0.381 . . . . 0.0 110.863 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.207 -0.901 . . . . 1.0 111.088 -179.954 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.828 0.347 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.67 113.82 0.05 Allowed 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 121.29 0.567 . . . . 0.0 110.795 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.53 -69.8 0.14 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.058 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.5 t 60.18 91.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 59.8 m -59.56 -25.29 64.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.659 HG22 ' O ' ' A' ' 39' ' ' CYS . 19.5 t -48.3 -29.19 2.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.528 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -114.14 -27.27 7.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.187 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -68.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.195 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -77.13 159.21 29.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.192 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -99.25 147.31 25.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.73 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.94 161.0 25.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.023 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.96 -174.93 4.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.43 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.461 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -48.07 -51.75 23.08 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.909 0.385 . . . . 0.0 111.257 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.417 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 177.16 148.52 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.966 179.501 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.77 -144.31 16.3 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.604 -0.807 . . . . 0.0 112.906 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.458 ' CD1' ' N ' ' A' ' 17' ' ' TYR . 8.9 t80 -91.33 152.66 20.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 111.203 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.458 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 1.7 t80 -161.25 113.43 1.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.609 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -53.51 -27.82 27.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.51 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -63.4 -65.39 0.69 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.94 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.8 t -52.49 -47.27 66.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.123 0.487 . . . . 0.0 110.638 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.454 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 6.5 mm100 -52.32 -55.7 19.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.232 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 1.2 m-20 -59.0 -39.0 80.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.209 -179.626 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -58.42 -57.43 12.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.043 0.449 . . . . 0.0 111.268 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.0 t -53.91 -62.48 1.63 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.681 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.2 ptmm? -47.51 -37.25 11.61 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.703 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 0.7 OUTLIER -75.93 -24.11 55.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.811 0.339 . . . . 0.0 111.043 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.0 -31.56 63.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 135.27 34.7 0.25 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.529 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -142.42 -150.84 0.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.521 0.2 . . . . 0.0 110.642 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -107.36 -51.78 2.86 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.734 0.302 . . . . 0.0 110.984 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 179.86 -152.22 10.72 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.447 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -175.88 -150.22 7.92 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.534 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 t -151.83 159.13 43.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.873 0.368 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.7 m -93.82 115.19 27.58 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.604 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.471 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 24.8 mtp -116.51 103.04 10.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.325 -179.615 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.422 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 79.7 t80 48.52 65.25 1.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.943 0.401 . . . . 0.0 111.882 179.15 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.461 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 8.5 m-85 60.53 17.55 7.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.283 178.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 35' ' ' MET . 2.7 tttm -115.45 142.22 47.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.713 0.292 . . . . 0.0 110.244 179.299 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.659 ' O ' HG22 ' A' ' 6' ' ' VAL . 53.0 t -101.2 97.99 8.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.868 0.366 . . . . 0.0 111.116 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -103.69 153.17 20.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.76 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.5 m -98.01 -172.21 2.32 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.967 0.413 . . . . 0.0 110.937 -179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.289 -0.863 . . . . 1.0 111.138 -179.971 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.724 0.297 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? -179.49 108.92 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.633 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.69 -78.75 0.22 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.752 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.1 t 56.57 72.03 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.98 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 81.4 m -64.62 -17.86 64.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.313 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 39' ' ' CYS . 15.7 t -50.97 -34.87 14.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.795 0.331 . . . . 0.0 111.391 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -124.66 34.01 5.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -134.54 -46.38 0.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.004 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.15 119.59 39.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.05 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 tpt85 -62.51 156.5 22.76 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.283 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.45 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 1.8 t -136.1 173.54 11.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.685 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.39 -174.77 4.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.593 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.475 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -50.79 -46.98 59.87 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.396 -179.713 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.49 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER 173.54 153.47 0.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.903 0.382 . . . . 0.0 111.121 179.926 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.94 -133.61 10.55 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.912 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.443 ' CZ ' ' HG3' ' A' ' 21' ' ' GLN . 4.2 t80 -102.36 134.27 45.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.872 0.367 . . . . 0.0 111.167 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.45 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 1.6 t80 -138.02 112.67 8.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.534 179.578 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.82 -35.93 34.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.683 -179.42 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.412 ' HB2' ' CD2' ' A' ' 17' ' ' TYR . 10.0 mt-10 -61.15 -57.19 13.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.18 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.4 t -55.0 -50.81 68.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.005 0.431 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.443 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 5.1 mm100 -52.33 -54.79 27.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.341 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -58.48 -38.95 78.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.19 -179.663 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.23 -58.86 6.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.365 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.8 t -53.31 -60.91 2.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.653 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 26' ' ' ASN . 4.6 ptmm? -47.97 -36.13 12.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.279 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.411 ' N ' ' HG3' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -74.73 -26.18 59.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.745 179.64 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.71 -33.15 70.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.647 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.33 -9.46 2.18 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.666 -0.778 . . . . 0.0 113.046 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 -96.47 -146.93 0.29 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.854 0.327 . . . . 0.0 110.771 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -112.67 -47.79 3.05 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.745 0.307 . . . . 0.0 111.28 -179.622 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.24 -155.92 14.17 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.373 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -168.87 -154.51 9.03 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.723 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 t -146.18 163.05 36.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 0.0 111.031 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.8 t -99.26 128.97 45.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.419 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 1.6 mtt -135.32 96.23 3.44 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.574 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.432 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 91.6 t80 47.17 67.72 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.938 0.399 . . . . 0.0 111.695 179.133 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.475 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 5.1 m-85 59.42 18.89 7.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.069 179.222 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 35' ' ' MET . 1.7 mtpt -115.37 123.09 47.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.819 0.342 . . . . 0.0 110.265 179.079 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.492 ' O ' HG22 ' A' ' 6' ' ' VAL . 42.3 t -89.77 100.94 13.65 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 -179.47 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 40.2 tptt -105.47 157.74 17.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.528 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.0 m -101.34 -171.77 2.05 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 120.947 0.403 . . . . 0.0 110.978 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.333 -0.841 . . . . 0.0 111.134 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.816 0.341 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.57 32.63 5.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.596 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.8 OUTLIER -57.76 -44.14 85.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.008 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.459 ' HB3' HG23 ' A' ' 6' ' ' VAL . 0.4 OUTLIER 57.43 23.8 9.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.025 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 72.29 5.3 5.25 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.611 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.762 HG22 ' O ' ' A' ' 39' ' ' CYS . 6.2 t -71.82 -30.92 39.38 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 120.807 0.337 . . . . 0.0 111.1 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -123.12 31.19 6.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.66 -56.85 1.57 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.821 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 t -97.76 156.38 16.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.0 ttt180 -86.63 163.46 17.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.437 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 1.8 t -142.77 173.46 11.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.65 -178.37 5.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.81 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.486 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -51.43 -47.31 63.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.405 -179.792 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.468 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER 177.76 151.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.871 0.367 . . . . 0.0 110.98 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.57 -134.01 9.78 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.717 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -109.23 133.96 52.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.961 0.41 . . . . 0.0 111.106 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.451 ' CD2' ' HB2' ' A' ' 19' ' ' GLU . 1.9 t80 -132.98 108.88 9.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.471 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.527 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 0.9 OUTLIER -47.71 -30.46 3.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.599 -179.443 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.451 ' HB2' ' CD2' ' A' ' 17' ' ' TYR . 0.6 OUTLIER -65.91 -45.76 80.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.824 0.345 . . . . 0.0 110.819 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.8 t -67.63 -54.47 19.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.187 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.527 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -56.32 -31.47 63.74 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.859 0.362 . . . . 0.0 111.166 -179.885 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -70.31 -43.89 69.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -58.95 -56.41 22.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.163 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.8 t -54.79 -57.56 11.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.548 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.4 ' HG2' ' N ' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -51.1 -50.45 58.74 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.139 -179.637 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.4 ' N ' ' HG2' ' A' ' 25' ' ' LYS . 2.6 t-20 -62.78 -25.42 68.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.178 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.56 -33.23 64.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.776 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 138.43 34.28 0.18 Allowed Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.593 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 -139.76 -152.78 0.43 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.526 0.203 . . . . 0.0 110.593 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -105.07 -50.03 3.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.762 0.315 . . . . 0.0 111.015 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -179.33 -152.23 10.45 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.354 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -163.82 -168.92 26.59 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.569 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 t -133.48 159.62 39.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.38 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.6 t -104.91 127.31 52.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.806 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.409 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -132.79 98.77 4.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.46 -179.656 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.415 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 8.6 t80 49.74 61.77 2.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.957 0.408 . . . . 0.0 111.28 179.326 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.486 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 6.7 m-85 66.45 16.17 10.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.851 179.444 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 35' ' ' MET . 0.5 OUTLIER -105.02 139.08 40.23 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 179.145 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.762 ' O ' HG22 ' A' ' 6' ' ' VAL . 46.4 t -109.99 96.29 6.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.245 -179.519 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 ttpp -108.28 164.15 12.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.212 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.4 m -92.49 -173.0 3.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.984 0.421 . . . . 0.0 110.961 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.269 -0.872 . . . . 1.0 111.07 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 92.0 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.767 0.318 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.8 HG22 ' O ' ' A' ' 39' ' ' CYS . 12.4 t -53.23 -42.83 48.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.339 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -105.71 25.71 10.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.041 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.53 -53.62 1.01 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.801 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 t -95.5 123.95 39.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.0 ttt85 -64.89 -165.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.443 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 2.8 t -176.73 173.09 2.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.751 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.41 -178.46 5.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.844 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.467 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 20.7 tttt -46.88 -48.7 21.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.423 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.409 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.3 OUTLIER 176.78 161.41 0.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.963 0.411 . . . . 0.0 111.001 179.824 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.59 -135.19 11.36 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.675 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -113.19 116.91 30.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.807 0.337 . . . . 0.0 111.104 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.461 ' CE2' ' CB ' ' A' ' 19' ' ' GLU . 5.9 t80 -117.61 106.64 13.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.391 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.545 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 9.7 tt0 -46.73 -29.47 1.93 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.756 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.461 ' CB ' ' CE2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -65.58 -45.37 83.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.922 0.391 . . . . 0.0 110.688 179.904 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.0 t -66.7 -56.53 10.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.074 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.545 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -54.4 -31.52 55.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.084 -179.778 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.72 -44.13 70.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.648 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -58.19 -60.15 4.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.0 t -50.24 -57.88 6.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.123 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.21 -39.3 43.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.238 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.14 -24.21 61.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.163 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.43 -33.85 60.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.909 0.385 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 140.04 35.85 0.12 Allowed Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.623 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -139.04 -151.88 0.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 110.604 -0.147 . . . . 0.0 110.604 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -106.49 -44.7 4.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.792 0.33 . . . . 0.0 111.067 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 176.97 -151.54 11.26 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.414 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -167.08 -166.27 25.88 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.2 t -135.74 168.21 19.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 110.974 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.4 t -106.92 128.27 54.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.713 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.421 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -135.62 100.13 4.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.53 -179.548 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.422 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 83.0 t80 47.69 67.08 0.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.887 0.375 . . . . 0.0 111.764 179.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.467 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 5.2 m-85 58.93 18.97 6.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.042 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 35' ' ' MET . 28.2 mtpt -113.8 139.41 49.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.817 0.341 . . . . 0.0 110.275 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.8 ' O ' HG22 ' A' ' 6' ' ' VAL . 48.3 t -103.51 106.22 16.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.337 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.7 tttm -112.25 162.59 15.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.279 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.2 m -92.75 -173.36 3.3 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.003 0.43 . . . . 0.0 111.039 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.205 -0.902 . . . . 1.0 111.093 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.9 t . . . . . 0 CA--C 1.528 0.105 0 CA-C-O 120.647 0.261 . . . . 0.0 111.281 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.779 HG22 ' O ' ' A' ' 39' ' ' CYS . 15.0 t -49.52 -46.97 20.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.796 0.331 . . . . 0.0 111.457 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -94.51 -24.92 17.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.065 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -65.52 -66.36 0.56 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.082 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 t -89.55 162.71 15.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.077 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -93.22 -164.92 1.24 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.019 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.449 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 1.9 t -170.13 174.22 5.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.792 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.6 -178.61 5.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.723 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.488 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 6.2 ttmt -50.14 -44.99 52.71 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.741 0.305 . . . . 0.0 111.544 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.411 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 174.35 156.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.043 179.833 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.35 -134.07 11.16 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.76 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -107.93 131.66 54.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.837 0.351 . . . . 0.0 111.068 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.449 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 1.7 t80 -130.9 109.07 10.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.518 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.502 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 1.7 tp60 -49.65 -30.38 8.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.408 -179.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.85 -40.47 87.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.914 0.388 . . . . 0.0 110.711 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.9 t -71.2 -55.42 8.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.012 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.502 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -55.2 -33.3 62.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.012 -179.883 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.408 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 20.5 t70 -69.41 -46.24 67.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.71 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.98 -55.8 30.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.4 t -52.89 -60.17 3.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.593 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -52.6 -29.37 25.48 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.234 -179.589 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.42 ' N ' ' HG3' ' A' ' 25' ' ' LYS . 1.1 t-20 -79.23 -23.62 43.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.857 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.04 -32.06 50.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.821 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 137.05 37.78 0.16 Allowed Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.562 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -141.47 -150.64 0.32 Allowed 'General case' 0 C--N 1.33 -0.246 0 O-C-N 122.866 -0.196 . . . . 0.0 110.688 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -110.5 -52.02 2.82 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.723 0.297 . . . . 0.0 111.101 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -173.5 -152.16 8.66 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.435 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -170.11 -155.59 10.34 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.554 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 t -144.57 164.6 30.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.843 0.354 . . . . 0.0 110.981 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.2 t -107.69 128.76 54.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.784 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.436 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 8.8 mmm -134.41 100.25 4.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.545 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.418 ' CG ' ' O ' ' A' ' 36' ' ' PHE . 8.8 t80 48.4 63.13 2.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.009 0.433 . . . . 0.0 111.636 179.23 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.488 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 7.0 m-85 65.0 17.23 11.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.046 179.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 35' ' ' MET . 9.7 mtpt -109.26 139.13 44.59 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.813 0.34 . . . . 0.0 110.24 178.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.779 ' O ' HG22 ' A' ' 6' ' ' VAL . 40.6 t -108.13 98.18 7.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.324 -179.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -106.34 162.87 13.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.312 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 7.1 m -98.04 -172.62 2.4 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 120.891 0.377 . . . . 0.0 111.131 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.161 -0.923 . . . . 0.0 111.068 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.2 t . . . . . 0 CA--C 1.528 0.113 0 CA-C-O 120.703 0.287 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.803 HG22 ' O ' ' A' ' 39' ' ' CYS . 19.4 t -49.17 -54.33 6.06 Favored 'Isoleucine or valine' 0 C--O 1.231 0.13 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.428 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.83 -28.68 24.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.964 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -66.26 -66.25 0.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.982 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.2 t -86.03 153.26 22.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.046 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -87.2 -164.82 1.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.009 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.441 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 2.6 t -172.66 173.08 4.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.681 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.45 178.86 6.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.793 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.466 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 43.8 tttm -46.32 -44.72 16.98 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.367 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.428 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER 174.52 166.54 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.916 0.389 . . . . 0.0 111.077 179.433 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.83 -133.89 11.82 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.705 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -107.16 137.88 44.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.891 0.377 . . . . 0.0 111.045 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.441 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 0.7 OUTLIER -134.47 107.82 7.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.496 179.725 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.477 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 0.9 OUTLIER -45.63 -37.45 5.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.606 -179.528 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -62.91 -46.24 88.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.844 0.354 . . . . 0.0 111.005 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.34 -52.87 63.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.191 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.477 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 4.3 pt20 -55.8 -35.25 66.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.835 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.445 ' N ' ' HG3' ' A' ' 21' ' ' GLN . 26.3 t0 -67.1 -36.38 81.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -68.31 -62.24 1.49 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.185 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.42 ' SG ' ' HB2' ' A' ' 29' ' ' HIS . 6.8 t -47.31 -49.82 23.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.709 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.78 -49.75 67.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.41 179.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.69 -25.75 60.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.835 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.42 -31.79 48.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.615 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 129.84 38.27 0.33 Allowed Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.367 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.42 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 74.4 m-70 -134.95 -148.34 0.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.357 0.122 . . . . 0.0 110.971 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -119.05 -38.07 3.11 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-O 120.627 0.251 . . . . 0.0 111.295 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 175.19 -151.88 12.76 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.374 -0.917 . . . . 0.0 112.5 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -171.73 -163.66 26.04 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.575 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.0 t -131.73 163.0 29.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.933 0.397 . . . . 0.0 111.039 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.1 t -109.63 125.23 52.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.802 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.426 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -130.32 99.11 4.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.543 -179.605 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.419 ' CG ' ' O ' ' A' ' 36' ' ' PHE . 22.8 t80 49.07 61.87 2.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.977 0.418 . . . . 0.0 111.46 179.226 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.466 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 6.9 m-85 67.15 15.98 10.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.007 179.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 35' ' ' MET . 12.2 mmtt -103.17 140.36 37.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.75 0.31 . . . . 0.0 110.216 178.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.803 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -107.38 91.99 3.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.401 -179.472 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -102.13 161.63 13.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.318 179.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.3 m -95.74 -173.11 2.77 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.013 0.435 . . . . 0.0 111.12 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.216 -0.897 . . . . 0.0 111.178 179.914 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.547 0.213 . . . . 0.0 111.317 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.791 HG22 ' O ' ' A' ' 39' ' ' CYS . 19.9 t -51.29 -32.4 12.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.789 0.328 . . . . 0.0 111.405 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -117.49 31.34 6.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.0 -51.75 1.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.996 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.0 t -104.86 127.54 52.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.153 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -164.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.257 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.455 ' HA ' ' CE2' ' A' ' 17' ' ' TYR . 2.4 t -174.57 173.32 2.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.451 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.54 -174.91 4.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.651 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.465 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -53.27 -43.34 67.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.792 0.33 . . . . 0.0 111.097 -179.741 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.441 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 171.54 160.47 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.927 0.394 . . . . 0.0 111.005 179.621 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.1 -133.66 11.56 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.918 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -99.59 143.52 29.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.896 0.379 . . . . 0.0 111.256 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.455 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 3.1 t80 -153.38 101.7 2.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.373 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.507 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 10.4 tt0 -47.76 -29.2 2.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.614 -179.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -63.99 -48.35 76.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.97 0.414 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.5 t -66.24 -56.37 11.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.159 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.507 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -55.27 -32.26 62.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.234 -179.651 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -68.25 -45.37 73.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.69 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -58.42 -61.78 2.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.987 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.5 t -47.86 -55.58 9.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.053 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.85 -31.9 60.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.963 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -75.57 -23.63 56.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.174 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.77 -47.01 19.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.912 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 156.44 38.05 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.319 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 -140.34 -150.94 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.414 0.15 . . . . 0.0 110.765 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -110.48 -40.28 4.67 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.769 0.319 . . . . 0.0 111.04 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 174.62 -150.71 11.61 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.467 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -168.32 -163.64 22.64 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.528 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.6 t -139.59 160.92 38.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.824 0.345 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.3 t -99.82 129.24 45.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.726 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.422 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 15.3 mtt -134.52 94.8 3.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.399 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.413 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 78.4 t80 49.42 62.89 2.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.032 0.444 . . . . 0.0 111.385 179.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.465 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 5.2 m-85 63.9 17.07 10.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.963 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 35' ' ' MET . 0.4 OUTLIER -111.44 121.83 46.23 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.834 0.35 . . . . 0.0 110.21 179.034 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.791 ' O ' HG22 ' A' ' 6' ' ' VAL . 49.1 t -89.9 100.24 13.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.33 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.5 tttm -106.69 162.32 13.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.26 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.5 m -92.54 -173.38 3.35 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.996 0.427 . . . . 0.0 111.162 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.152 -0.928 . . . . 0.0 111.05 179.963 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.793 0.33 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.2 t -63.56 -51.43 70.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.488 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.76 25.67 9.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.277 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -115.7 -46.67 2.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.881 0.372 . . . . 0.0 110.768 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.8 t -115.42 143.03 45.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.713 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.64 152.47 25.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.022 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.8 t -135.72 172.11 13.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.641 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.32 -177.14 5.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.687 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.486 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 13.6 tttp -46.55 -46.29 19.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.399 -179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.431 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.2 OUTLIER 176.68 162.83 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 111.013 179.607 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 115.41 -134.39 11.53 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.817 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -115.98 131.23 57.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.871 0.367 . . . . 0.0 111.306 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -135.35 109.02 7.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.327 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.528 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 13.3 tt0 -45.09 -31.8 1.52 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.662 -179.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.33 -44.01 96.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.821 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.5 t -69.43 -57.49 5.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.091 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.528 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -53.82 -32.22 51.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.064 -179.774 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 27.8 t70 -69.58 -45.94 67.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.569 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -56.91 -56.01 27.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.01 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.4 t -53.58 -61.43 2.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.597 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 26' ' ' ASN . 2.5 pttp -50.61 -30.35 13.15 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.374 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.441 ' N ' ' HG3' ' A' ' 25' ' ' LYS . 2.1 t-20 -80.05 -23.11 41.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.828 0.347 . . . . 0.0 110.847 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.66 -32.88 58.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 139.43 37.1 0.12 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.552 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 61.2 m-70 -140.24 -150.98 0.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.427 0.156 . . . . 0.0 110.673 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -109.66 -49.43 3.1 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.747 0.308 . . . . 0.0 111.039 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -171.32 -157.97 14.32 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.305 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -162.76 -166.41 21.5 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.534 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.496 HG23 ' SD ' ' A' ' 35' ' ' MET . 6.2 t -138.13 173.28 11.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.955 0.407 . . . . 0.0 111.043 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.2 t -113.27 126.31 55.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.496 ' SD ' HG23 ' A' ' 33' ' ' THR . 0.0 OUTLIER -135.27 101.37 4.82 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.971 -179.635 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.426 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 83.4 t80 47.06 64.58 1.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 112.015 178.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.486 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 4.4 m-85 62.76 19.46 11.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.833 179.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -114.1 139.65 49.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.845 0.355 . . . . 0.0 110.383 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.5 t -103.19 99.77 9.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.987 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -103.53 166.37 10.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.42 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.0 m -101.07 -172.28 2.14 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 120.968 0.413 . . . . 0.0 110.984 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.239 -0.886 . . . . 1.0 111.057 -179.948 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 94.8 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.724 0.297 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.5 t -50.37 -35.75 12.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.418 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.54 37.59 4.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.2 ttpp -125.75 -50.75 1.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 t -108.38 152.3 24.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -88.32 156.62 19.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.471 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 2.0 t -136.89 171.24 14.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.53 -178.44 5.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.699 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.48 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 28.6 tttt -47.07 -42.83 19.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.75 0.309 . . . . 0.0 111.335 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.429 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 171.42 165.26 0.09 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.953 0.406 . . . . 0.0 110.901 179.557 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.19 -133.75 11.84 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.609 -0.805 . . . . 0.0 113.021 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.464 ' CZ ' ' HG3' ' A' ' 21' ' ' GLN . 3.9 t80 -103.77 139.07 39.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.875 0.369 . . . . 0.0 111.257 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.471 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 1.4 t80 -145.89 110.38 5.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.452 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.78 -32.89 3.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.75 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.448 ' HB2' ' CD2' ' A' ' 17' ' ' TYR . 8.3 mt-10 -63.41 -64.14 0.99 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.078 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.1 t -52.72 -49.18 65.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.006 0.431 . . . . 0.0 110.955 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.464 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 1.1 mm100 -53.15 -54.52 34.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.194 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.447 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 61.4 m-20 -59.63 -29.79 68.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.887 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -63.53 -57.69 9.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.238 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.451 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 3.1 t -59.89 -63.29 1.35 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.405 -179.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -41.97 -54.32 3.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.565 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 1.7 t-20 -66.78 -26.55 67.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.741 0.305 . . . . 0.0 111.071 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 24' ' ' CYS . . . -65.27 -31.04 71.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.676 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 137.75 -3.86 3.23 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.952 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 53.9 m-70 -102.71 -147.49 0.37 Allowed 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.704 0.252 . . . . 0.0 110.7 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -107.22 -52.18 2.8 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.786 0.327 . . . . 0.0 111.01 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.42 ' HA3' ' OE1' ' A' ' 21' ' ' GLN . . . -175.46 -163.12 27.83 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.174 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -157.61 -174.39 27.26 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.582 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.3 t -130.72 159.4 37.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.907 0.384 . . . . 0.0 111.037 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.4 t -100.69 123.91 45.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.774 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.4 ' O ' ' CB ' ' A' ' 38' ' ' LYS . 2.4 mmt -131.23 102.9 6.18 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.507 -179.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.426 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 92.7 t80 45.37 71.75 0.26 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.907 179.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.48 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 5.0 m-85 55.4 21.32 4.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.924 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.4 ' CB ' ' O ' ' A' ' 35' ' ' MET . 8.5 tttt -114.54 140.35 48.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.802 0.334 . . . . 0.0 110.517 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.6 t -106.29 100.34 9.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.06 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.4 tptt -110.02 163.85 13.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.59 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.1 m -102.54 -171.2 1.92 Allowed 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 120.904 0.383 . . . . 0.0 111.048 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.266 -0.874 . . . . 1.0 111.141 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.4 t . . . . . 0 CA--C 1.528 0.098 0 CA-C-O 120.744 0.307 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 39' ' ' CYS . 11.3 t -51.68 -36.47 18.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.302 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.05 36.7 4.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.823 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.62 -55.5 0.95 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 t -91.41 154.54 19.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -84.13 152.3 24.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -133.28 165.69 24.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.477 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.82 -179.11 5.66 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.413 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.448 ' HG2' ' CE2' ' A' ' 14' ' ' TYR . 42.5 tttt -50.69 -42.42 56.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.86 0.362 . . . . 0.0 110.682 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.448 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 172.59 153.68 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.861 179.35 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.47 -145.0 18.26 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.956 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 17' ' ' TYR . 6.0 t80 -95.62 152.68 18.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.808 0.337 . . . . 0.0 111.184 -179.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.453 ' CE2' ' CB ' ' A' ' 19' ' ' GLU . 4.4 t80 -157.5 104.35 2.0 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.604 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -47.29 -32.22 4.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.464 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.453 ' CB ' ' CE2' ' A' ' 17' ' ' TYR . 0.4 OUTLIER -57.28 -61.2 2.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.727 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -55.08 -37.8 67.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.643 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.4 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -54.84 -56.12 22.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.684 179.662 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.489 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 1.6 m-20 -55.88 -36.93 68.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.543 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 t -58.83 -61.27 2.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.33 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.44 -58.99 5.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.803 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 26' ' ' ASN . 1.5 pttp -50.43 -33.09 19.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.29 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.489 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 0.9 OUTLIER -76.1 -26.23 56.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.892 0.377 . . . . 0.0 110.487 179.402 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.74 -28.48 60.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.826 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 130.6 34.4 0.45 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.749 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 -140.69 -151.11 0.35 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.545 0.212 . . . . 0.0 110.748 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -103.98 -57.81 1.98 Allowed 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.735 0.302 . . . . 0.0 111.241 -179.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -169.67 -157.31 11.88 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.363 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -164.81 -168.91 27.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.629 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.4 t -140.45 156.29 46.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.776 0.322 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 m -94.26 116.41 28.8 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.643 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.6 mmm -117.2 100.42 7.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.022 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 41.3 t80 49.62 61.49 3.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.967 0.413 . . . . 0.0 111.316 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.432 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 5.5 m-85 64.27 18.56 11.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.775 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.41 137.29 48.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.756 0.313 . . . . 0.0 110.495 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.518 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -95.65 89.46 5.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.249 -179.634 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.25 162.82 13.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.709 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.1 m -104.3 -170.68 1.8 Allowed 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.962 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.297 -0.859 . . . . 0.0 111.127 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.564 0.221 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 39' ' ' CYS . 3.8 p -51.31 -45.89 33.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.066 0.46 . . . . 0.0 111.021 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.468 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 3.8 t70 -110.57 30.03 7.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.9 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.09 -65.58 0.98 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.769 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.1 t -90.73 150.7 21.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.746 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -77.23 -165.09 0.53 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.428 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 2.0 t -174.99 176.23 2.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.567 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.49 -174.66 4.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.724 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.425 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 4.0 ttmt -58.24 -43.46 87.79 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.764 0.316 . . . . 0.0 111.192 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.1 OUTLIER 176.21 153.32 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 111.045 179.898 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 120.24 -134.51 10.46 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.705 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -109.31 133.13 53.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 0.0 111.047 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.428 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 1.4 t80 -133.62 110.77 10.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.573 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.521 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 5.4 tt0 -48.5 -28.47 3.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.47 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -66.34 -40.45 89.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.823 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -71.71 -53.39 13.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.521 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -58.18 -32.2 68.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.846 0.355 . . . . 0.0 111.02 -179.89 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -73.02 -39.16 66.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.579 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -62.81 -58.46 7.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.796 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.6 t -54.17 -55.12 30.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.23 -39.48 30.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.093 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -74.79 -24.55 58.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.063 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.57 -30.03 62.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.969 0.414 . . . . 0.0 110.795 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 134.01 34.67 0.29 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.484 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -140.03 -150.27 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.411 0.148 . . . . 0.0 110.666 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -107.28 -46.77 3.8 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.772 0.32 . . . . 0.0 111.006 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.87 -151.34 10.24 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.507 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -167.51 -162.41 19.25 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.6 t -139.23 165.04 28.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.856 0.36 . . . . 0.0 110.979 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.8 t -105.78 127.7 53.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.746 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.503 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -132.54 92.61 3.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.706 -179.414 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.421 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 74.6 t80 51.93 62.71 2.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.924 0.393 . . . . 0.0 111.785 178.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.425 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 4.0 m-85 65.36 8.42 4.95 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.316 0.488 . . . . 0.0 112.316 179.14 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.503 ' HB2' ' O ' ' A' ' 35' ' ' MET . 0.0 OUTLIER -105.96 126.32 52.05 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 120.885 0.374 . . . . 0.0 110.206 179.416 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.633 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -89.89 117.74 28.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.507 -179.161 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.61 159.95 28.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.19 179.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.8 m -95.8 -173.08 2.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.053 0.454 . . . . 0.0 111.041 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.245 -0.883 . . . . 1.0 111.089 179.945 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 96.3 m . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.754 0.311 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.602 HG22 ' O ' ' A' ' 39' ' ' CYS . 14.7 t -52.34 -31.98 15.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.328 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.4 29.26 8.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -137.39 -58.64 0.69 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.8 t -91.28 112.99 25.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -164.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.2 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.459 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 0.8 OUTLIER -171.45 176.16 3.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.717 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.66 -176.36 4.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.44 ' HG2' ' CE2' ' A' ' 14' ' ' TYR . 72.6 tttt -52.51 -43.26 64.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.171 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.44 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER 178.76 168.34 0.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.952 0.406 . . . . 0.0 111.065 179.7 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.92 -137.48 13.95 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.61 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -113.69 133.04 55.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.895 0.379 . . . . 0.0 110.92 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.462 ' CE2' ' HB2' ' A' ' 19' ' ' GLU . 4.0 t80 -130.78 106.27 8.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.429 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.517 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 0.2 OUTLIER -45.87 -30.19 1.63 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.571 -179.526 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.462 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -66.02 -40.9 91.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.87 0.367 . . . . 0.0 110.517 179.801 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.4 t -69.85 -56.35 7.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.865 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.517 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -56.33 -31.49 63.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -68.23 -46.75 69.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.619 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.2 t -58.83 -59.71 5.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.837 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 18.9 t -46.92 -56.25 6.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.299 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.65 -35.63 66.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.774 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.34 -24.51 63.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.078 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.96 -39.75 33.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.823 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 146.36 37.93 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.511 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 -139.51 -150.2 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.444 0.164 . . . . 0.0 110.785 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -114.75 -48.11 2.86 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.681 0.277 . . . . 0.0 111.4 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -175.13 -149.8 7.49 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.468 -0.873 . . . . 0.0 112.393 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.412 ' HA3' ' O ' ' A' ' 40' ' ' LYS . . . -177.33 -169.49 38.52 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.748 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.5 t -117.86 163.33 16.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.73 0.3 . . . . 0.0 110.72 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 47.5 t -117.93 117.47 29.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.908 0.385 . . . . 0.0 111.304 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.656 ' O ' ' N ' ' A' ' 37' ' ' PHE . 24.8 mtp -102.75 -162.88 0.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.571 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.429 ' O ' ' HB2' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -53.69 70.09 0.0 OUTLIER 'General case' 0 C--O 1.231 0.117 0 CA-C-O 121.396 0.617 . . . . 0.0 111.053 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.656 ' N ' ' O ' ' A' ' 35' ' ' MET . 4.1 m-85 67.24 33.09 5.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.392 -179.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -123.31 133.38 54.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.655 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.602 ' O ' HG22 ' A' ' 6' ' ' VAL . 46.4 t -100.75 107.8 19.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.002 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.412 ' O ' ' HA3' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -118.18 156.84 28.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.444 179.64 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 12.4 m -88.27 -174.13 4.5 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 120.998 0.427 . . . . 0.0 111.144 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.291 -0.861 . . . . 1.0 111.092 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.674 0.273 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 39' ' ' CYS . 3.3 p -41.1 -45.97 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 CA-C-O 121.027 0.441 . . . . 0.0 111.583 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.459 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 1.1 t0 -116.74 39.97 3.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.795 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -129.9 -46.63 1.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.965 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 t -103.26 149.36 24.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.3 ttm-85 -86.24 152.82 22.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.918 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.445 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 1.6 t -131.22 174.06 10.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.813 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.4 -172.33 3.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.743 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.516 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 0.7 OUTLIER -57.12 -43.21 82.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.411 -179.609 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.436 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.1 OUTLIER 174.16 155.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.922 0.391 . . . . 0.0 111.185 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.75 -136.51 12.81 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.859 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -107.08 126.33 52.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.852 0.358 . . . . 0.0 111.131 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.445 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 1.2 t80 -123.35 112.3 17.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.417 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.521 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 0.5 OUTLIER -51.05 -26.66 6.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.38 -179.649 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.66 -40.65 72.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.767 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -48.15 53.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.071 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.521 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -62.57 -32.0 72.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.834 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.52 -44.84 70.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.743 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -58.45 -61.0 2.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.5 t -51.13 -56.8 10.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.232 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.08 -39.26 41.92 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.971 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.28 -25.75 63.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.943 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.28 -31.47 60.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.783 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 134.89 35.32 0.25 Allowed Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.613 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -137.19 -151.39 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 O-C-N 122.906 -0.173 . . . . 0.0 110.61 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -104.3 -50.8 3.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.732 0.301 . . . . 0.0 111.085 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -174.95 -156.09 13.62 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.535 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.11 170.58 33.83 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.783 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.4 t -112.06 165.45 12.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.895 0.379 . . . . 0.0 110.87 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.3 t -116.21 121.84 43.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.414 ' O ' ' CB ' ' A' ' 38' ' ' LYS . 0.8 OUTLIER -127.96 100.75 6.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.619 -179.617 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.427 ' HA ' ' O ' ' A' ' 13' ' ' LYS . 85.6 t80 43.46 75.85 0.09 Allowed 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 178.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.516 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 3.9 m-85 54.76 20.12 2.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.939 179.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 35' ' ' MET . 8.6 tttm -114.86 134.87 54.79 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.747 0.308 . . . . 0.0 110.176 179.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.672 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -102.75 124.26 47.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.959 0.409 . . . . 0.0 111.305 -179.343 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.95 166.58 23.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.376 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.3 m -92.28 -173.96 3.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.124 0.487 . . . . 0.0 111.104 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.248 -0.882 . . . . 1.0 111.177 179.955 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 57.8 m . . . . . 0 CA--C 1.529 0.143 0 CA-C-O 120.627 0.251 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.809 HG22 ' O ' ' A' ' 39' ' ' CYS . 17.7 t -51.03 -40.58 21.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 120.877 0.37 . . . . 0.0 111.401 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.48 -28.2 13.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.93 -65.39 0.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.028 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 t -94.12 145.05 24.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.066 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -89.33 165.28 14.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.45 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 2.4 t -141.77 168.72 19.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.967 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.63 -169.28 2.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.931 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.522 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 1.2 ttpt -47.2 -59.59 3.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.382 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.447 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -177.93 162.0 1.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.01 179.674 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.39 -132.15 10.59 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.648 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -107.45 135.0 49.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.876 0.369 . . . . 0.0 111.106 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.45 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 3.8 t80 -138.59 109.51 6.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.435 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.532 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 0.2 OUTLIER -47.21 -30.4 2.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.596 -179.452 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.448 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 1.9 tt0 -67.03 -45.1 78.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.934 0.397 . . . . 0.0 110.843 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.92 -52.62 34.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.2 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.532 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -58.02 -30.33 66.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.006 -179.834 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.06 -41.39 67.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.595 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -60.11 -60.38 3.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.926 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.3 t -53.76 -55.47 26.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.954 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.09 -42.41 28.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.609 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.19 -27.29 66.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.728 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.57 -32.74 70.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.797 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 141.47 -7.66 2.55 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.64 -0.791 . . . . 0.0 113.09 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -94.7 -146.68 0.26 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.889 0.345 . . . . 0.0 110.781 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -109.35 -45.57 3.7 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.699 0.285 . . . . 0.0 111.213 -179.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -177.19 -157.07 17.37 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.477 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.45 174.52 34.22 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.68 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 t -119.08 161.68 19.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.92 0.39 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.9 t -102.82 126.59 50.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.834 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 40.3 mtp -132.86 94.02 3.3 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.689 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.413 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 78.8 t80 49.01 64.53 1.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.762 179.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.522 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 7.4 m-85 62.49 16.73 8.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.019 179.119 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -111.44 125.63 54.08 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 178.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.809 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -89.92 109.94 20.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.416 -179.157 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.98 165.58 13.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.223 179.397 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.1 m -96.83 -172.95 2.58 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 121.03 0.443 . . . . 0.0 111.078 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.28 -0.867 . . . . 0.0 111.123 179.973 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 32.6 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.747 0.308 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.508 HG22 ' O ' ' A' ' 39' ' ' CYS . 16.2 t -51.2 -40.88 23.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.867 0.365 . . . . 0.0 111.245 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.25 25.59 9.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.78 -50.54 1.24 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.15 131.24 44.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.6 ttt85 -77.97 153.83 32.1 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -129.55 165.44 21.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.06 178.54 6.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.62 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.441 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 15.3 tttt -42.28 -44.0 3.67 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.416 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.44 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER 173.82 160.56 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.963 0.411 . . . . 0.0 111.225 179.352 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.39 -137.27 14.05 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.929 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 17' ' ' TYR . 13.9 t80 -110.35 155.09 22.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 0.0 111.003 -179.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.463 ' CE2' ' CB ' ' A' ' 19' ' ' GLU . 4.4 t80 -159.32 111.08 2.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.478 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.512 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -48.54 -28.36 3.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.532 -179.483 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.463 ' CB ' ' CE2' ' A' ' 17' ' ' TYR . 0.9 OUTLIER -65.63 -51.1 62.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.796 0.332 . . . . 0.0 111.026 -179.883 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.4 t -64.25 -56.14 16.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.948 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.512 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -54.76 -31.25 58.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 -179.877 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.0 -43.81 74.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.718 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.2 t -58.65 -59.27 5.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.858 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.7 t -50.34 -57.07 8.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.101 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.76 -42.32 62.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.223 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -67.87 -25.4 65.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.229 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.3 -34.67 61.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.979 0.418 . . . . 0.0 110.785 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 139.56 35.27 0.14 Allowed Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.633 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -138.16 -151.58 0.39 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.558 0.218 . . . . 0.0 110.623 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -106.67 -49.84 3.24 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.752 0.311 . . . . 0.0 111.148 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 179.99 -150.9 9.5 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.481 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -168.79 -156.87 10.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.475 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.5 t -150.18 152.85 35.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.869 0.366 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.9 m -91.72 119.21 31.36 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.6 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.405 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 5.9 mtt -123.03 106.41 10.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 18.7 t80 47.99 62.72 2.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.625 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.441 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 4.7 m-85 60.72 22.01 11.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.95 179.234 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 35' ' ' MET . 1.6 mtpt -116.64 146.58 42.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.673 0.273 . . . . 0.0 110.31 179.114 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.508 ' O ' HG22 ' A' ' 6' ' ' VAL . 51.6 t -108.29 98.6 8.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.936 0.398 . . . . 0.0 111.333 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -106.63 161.69 14.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.406 179.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.3 m -92.1 -173.06 3.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.982 0.42 . . . . 0.0 111.038 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.268 -0.873 . . . . 1.0 111.137 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.528 0.133 0 CA-C-O 120.593 0.235 . . . . 0.0 111.306 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.2 t -46.71 -30.43 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-O 120.841 0.353 . . . . 0.0 111.607 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -125.37 34.91 4.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.61 -59.41 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.7 t -97.23 151.35 19.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.006 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.0 ttt85 -86.79 164.58 16.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.97 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.3 t -141.54 172.39 12.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.777 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.43 -172.53 3.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.976 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.519 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 28.3 tttp -54.63 -41.29 69.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.331 -179.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.411 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.2 OUTLIER 171.68 158.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 0.0 111.061 179.715 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 115.66 -133.99 11.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.871 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -112.58 125.41 54.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.796 0.332 . . . . 0.0 111.142 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -123.04 109.65 14.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.401 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.518 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 0.6 OUTLIER -44.53 -41.37 6.39 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.815 -179.328 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -58.83 -41.69 87.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.885 0.374 . . . . 0.0 110.958 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.39 -55.1 20.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.206 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.518 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -57.02 -29.18 63.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.114 -179.69 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.428 ' N ' ' HG3' ' A' ' 21' ' ' GLN . 1.9 t70 -70.4 -44.11 68.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -61.26 -57.7 11.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.111 0.482 . . . . 0.0 110.847 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.3 t -51.03 -58.16 6.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.321 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.7 ptmm? -52.0 -35.55 47.05 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 0.7 OUTLIER -71.28 -25.33 62.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.747 179.803 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.38 -32.44 54.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 136.87 36.58 0.18 Allowed Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.633 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -138.53 -152.13 0.41 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.472 0.177 . . . . 0.0 110.726 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -104.23 -55.91 2.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.737 0.303 . . . . 0.0 111.078 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -166.54 -160.44 13.77 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.343 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -151.18 173.84 30.54 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.653 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.1 t -120.69 171.65 8.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.971 0.415 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.5 t -116.69 123.03 46.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.821 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.543 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 70.9 mtp -127.5 89.59 2.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.593 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.426 ' HA ' ' O ' ' A' ' 13' ' ' LYS . 78.0 t80 52.42 60.59 3.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.002 0.43 . . . . 0.0 111.501 179.238 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.519 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 6.3 m-85 71.65 6.93 5.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.327 179.16 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.543 ' HB2' ' O ' ' A' ' 35' ' ' MET . 9.6 mmtt -100.4 125.53 46.69 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.817 0.341 . . . . 0.0 110.334 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.79 99.04 12.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.223 -179.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.12 172.18 6.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.424 179.479 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.9 m -101.15 -172.26 2.14 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.057 0.456 . . . . 0.0 111.083 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.222 -0.894 . . . . 1.0 111.002 -179.884 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.4 m . . . . . 0 CA--C 1.528 0.131 0 CA-C-O 120.719 0.295 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.465 ' CG1' ' N ' ' A' ' 7' ' ' ASP . 3.2 p -52.44 -45.43 45.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 121.057 0.456 . . . . 0.0 111.228 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.465 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -97.97 -21.55 16.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.993 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -70.83 -67.28 0.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.719 0.295 . . . . 0.0 110.964 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 t -92.58 151.82 19.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.961 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -91.25 165.63 13.36 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.774 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.488 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 1.7 t -141.15 170.03 16.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.897 0.379 . . . . 0.0 111.108 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.7 -171.83 3.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.787 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.468 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 16.0 tttt -51.98 -42.78 63.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.311 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.425 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.2 OUTLIER 171.66 161.67 0.1 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.848 0.356 . . . . 0.0 111.116 179.802 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 109.01 -158.44 14.6 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.926 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -84.21 114.26 21.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.879 0.371 . . . . 0.0 111.223 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.488 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 2.8 t80 -115.42 97.39 6.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.026 179.154 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -40.71 -32.58 0.22 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.753 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -59.88 -50.17 74.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.963 0.411 . . . . 0.0 110.675 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.63 -41.0 96.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.914 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -46.06 86.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.816 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -63.93 -37.34 87.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.668 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -59.61 -60.11 4.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 4.3 t -56.18 -54.12 49.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.06 -48.7 33.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.879 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.93 -28.16 69.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.777 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 24' ' ' CYS . . . -68.64 -32.5 72.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.778 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 140.02 -5.01 2.71 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.724 -0.75 . . . . 0.0 113.035 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 -100.48 -147.49 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.831 0.315 . . . . 0.0 110.728 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -109.76 -49.64 3.07 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.665 0.269 . . . . 0.0 111.227 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -174.26 -152.3 8.96 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.588 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -164.19 -165.34 21.25 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.698 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 t -136.25 165.22 26.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.918 0.389 . . . . 0.0 111.064 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.4 t -107.56 124.89 50.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.4 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 0.5 OUTLIER -131.26 92.77 3.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.498 -179.748 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.416 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 79.6 t80 49.56 63.11 2.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.005 0.431 . . . . 0.0 111.365 179.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.468 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 6.1 m-85 65.77 15.32 10.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.836 179.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 35' ' ' MET . 25.1 mmmt -105.22 123.54 48.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.839 0.352 . . . . 0.0 110.412 179.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.91 97.98 11.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -106.99 163.11 13.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.488 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.9 m -102.33 -171.62 1.99 Allowed 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 120.963 0.411 . . . . 0.0 110.923 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.222 -0.894 . . . . 1.0 111.096 179.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.1 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.68 0.276 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.808 HG22 ' O ' ' A' ' 39' ' ' CYS . 17.5 t -42.66 -35.52 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.649 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -119.21 35.91 4.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.772 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.5 ttpp -134.7 -52.69 0.81 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 t -103.24 150.47 23.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -87.15 164.91 16.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.451 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 2.2 t -144.41 170.07 16.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.41 -173.06 3.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.641 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.495 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 53.8 tttt -49.26 -48.61 45.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.726 0.298 . . . . 0.0 111.213 -179.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.435 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 172.98 164.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 110.961 179.67 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.31 -133.62 11.7 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.797 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.454 ' CZ ' ' HG3' ' A' ' 21' ' ' GLN . 1.9 t80 -103.27 131.04 50.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.982 0.42 . . . . 0.0 111.214 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.451 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 2.0 t80 -137.23 101.5 4.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.12 179.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -42.79 -34.19 0.89 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.0 -179.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.444 ' HB2' ' CD2' ' A' ' 17' ' ' TYR . 15.9 mt-10 -59.44 -57.83 11.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.962 0.411 . . . . 0.0 110.842 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.89 -36.56 74.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.966 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.454 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -59.72 -56.63 19.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.018 -179.901 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.453 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 43.7 m-20 -56.53 -35.24 67.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.959 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.39 -57.47 12.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.294 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.8 t -58.72 -62.92 1.5 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.895 -179.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 26' ' ' ASN . 9.7 pttm -44.55 -45.9 9.62 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.857 -179.215 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.453 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 0.7 OUTLIER -71.83 -24.77 61.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 111.043 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.23 -28.97 64.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 132.94 31.74 0.43 Allowed Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.75 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 -139.36 -151.99 0.4 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.581 0.229 . . . . 0.0 110.668 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -103.79 -57.56 2.02 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.797 0.332 . . . . 0.0 111.134 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -164.84 -162.26 15.52 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.215 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.79 176.74 33.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.566 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.4 t -129.14 164.84 22.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.9 t -104.29 132.13 50.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.433 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -137.22 96.62 3.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.642 -179.587 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.4 t80 48.6 65.22 1.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.859 0.361 . . . . 0.0 111.71 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.495 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 6.2 m-85 60.33 18.35 7.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.99 179.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 35' ' ' MET . 0.8 OUTLIER -111.94 132.26 54.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.771 0.319 . . . . 0.0 110.353 179.15 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.808 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -89.93 111.52 22.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.989 -179.475 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.05 163.83 17.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.603 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 m -104.53 -170.43 1.76 Allowed 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.917 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.232 -0.889 . . . . 1.0 111.071 179.963 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 93.1 m . . . . . 0 CA--C 1.529 0.136 0 CA-C-O 120.606 0.241 . . . . 0.0 111.363 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 39' ' ' CYS . 14.0 t -53.85 -47.07 64.14 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-O 120.859 0.361 . . . . 0.0 111.331 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -108.77 30.26 6.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 ttpp -131.27 -50.64 1.01 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 t -103.17 109.59 21.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.76 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -54.99 -179.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.292 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.445 ' HA ' ' CE2' ' A' ' 17' ' ' TYR . 2.4 t -160.97 173.22 15.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.628 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.4 -177.7 5.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.693 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.476 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 4.8 tttp -45.89 -45.59 15.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.724 0.297 . . . . 0.0 111.315 -179.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.424 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 172.17 161.97 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.965 179.577 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 109.72 -136.74 13.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.897 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.447 ' CZ ' ' HG3' ' A' ' 21' ' ' GLN . 3.3 t80 -98.05 136.84 37.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 0.0 111.05 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.447 ' CD2' ' HB2' ' A' ' 19' ' ' GLU . 2.3 t80 -143.24 110.36 5.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.591 179.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -50.39 -30.65 12.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.359 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.447 ' HB2' ' CD2' ' A' ' 17' ' ' TYR . 1.7 mt-10 -65.22 -52.21 56.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.787 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.0 t -60.13 -51.32 70.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.713 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.447 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 7.5 mm100 -53.0 -52.12 59.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.251 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 11.9 m-20 -55.5 -40.03 71.21 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.185 -179.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -64.49 -56.27 15.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.303 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.409 ' SG ' ' HB2' ' A' ' 29' ' ' HIS . 8.7 t -46.12 -61.67 1.67 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.579 -179.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -53.55 -44.17 69.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.181 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 1.0 OUTLIER -59.77 -27.75 66.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.018 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.23 -32.63 49.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.004 0.431 . . . . 0.0 110.637 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 131.46 38.15 0.28 Allowed Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.178 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.43 ' HB3' ' H ' ' A' ' 30' ' ' ASN . 55.6 m-70 -130.77 -153.57 0.57 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 -179.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.43 ' H ' ' HB3' ' A' ' 29' ' ' HIS . 3.0 m120 -120.68 -39.09 2.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.709 0.29 . . . . 0.0 111.059 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.77 -177.7 45.94 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.977 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -152.87 -161.37 10.24 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 t -144.45 155.91 43.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.995 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.3 t -97.48 128.84 44.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.695 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.498 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 5.5 mmm -137.09 97.83 3.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.679 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.419 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 85.9 t80 49.84 64.52 1.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.983 178.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.476 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 6.2 m-85 62.53 13.31 6.11 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 178.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 35' ' ' MET . 1.6 mttt -110.79 137.36 48.55 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 120.775 0.321 . . . . 0.0 110.212 179.182 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.473 ' O ' HG22 ' A' ' 6' ' ' VAL . 40.9 t -103.24 112.8 25.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.342 -179.204 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.9 tttm -118.95 161.44 20.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.306 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.9 m -102.34 -172.55 2.15 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 120.976 0.417 . . . . 0.0 110.941 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.213 -0.898 . . . . 0.0 111.133 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 85.8 m . . . . . 0 CA--C 1.528 0.129 0 CA-C-O 120.653 0.263 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 39' ' ' CYS . 3.2 p -53.05 -46.68 54.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 121.043 0.449 . . . . 0.0 111.212 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.467 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 0.7 OUTLIER -94.81 -29.48 14.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.973 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.46 -56.35 5.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.988 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.9 t -95.57 144.52 25.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.971 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -92.59 166.46 12.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.846 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.478 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 2.0 t -144.53 169.26 18.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.95 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.43 -171.83 3.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.834 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.505 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 24.1 tttt -48.28 -49.38 33.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.399 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.441 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 176.12 164.25 0.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.947 0.403 . . . . 0.0 111.168 179.759 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.411 ' N ' ' HB3' ' A' ' 34' ' ' CYS . . . 106.11 -156.7 16.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.762 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -83.66 120.5 26.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.011 0.434 . . . . 0.0 111.359 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.478 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 5.4 t80 -123.92 97.96 5.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.985 179.034 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -40.73 -31.5 0.16 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.937 -179.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.73 -49.48 74.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.911 0.386 . . . . 0.0 110.73 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.09 -41.78 85.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.074 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -47.42 84.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.16 -38.93 93.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.73 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -59.13 -60.37 3.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.146 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.0 t -51.95 -59.24 4.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.34 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.77 -39.73 18.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.21 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.38 -24.68 61.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.037 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.49 -31.03 62.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.012 0.434 . . . . 0.0 110.783 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 133.56 35.03 0.29 Allowed Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.571 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -138.41 -150.56 0.34 Allowed 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 120.451 0.167 . . . . 0.0 110.677 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -107.3 -53.95 2.55 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.758 0.313 . . . . 0.0 111.036 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -168.73 -158.61 12.89 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.33 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -157.91 -174.5 27.7 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.656 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 t -133.62 161.9 33.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.91 0.386 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.411 ' HB3' ' N ' ' A' ' 15' ' ' GLY . 2.4 t -103.76 123.56 47.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.773 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.2 mmt -130.38 97.36 4.39 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.622 -179.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.433 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 89.5 t80 45.32 73.15 0.17 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.911 179.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.505 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 7.7 m-30 53.94 20.88 2.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.976 179.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.8 tttp -116.16 127.41 54.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.79 0.329 . . . . 0.0 110.285 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.578 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -89.85 113.8 25.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.194 -179.439 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.32 163.91 18.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.502 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.0 m -101.66 -171.54 2.0 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 120.9 0.381 . . . . 0.0 110.863 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.207 -0.901 . . . . 1.0 111.088 -179.954 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 59.8 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.774 0.321 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.659 HG22 ' O ' ' A' ' 39' ' ' CYS . 19.5 t -48.3 -29.19 2.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.528 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -114.14 -27.27 7.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.187 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -68.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.195 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -77.13 159.21 29.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.192 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -99.25 147.31 25.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.73 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.94 161.0 25.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.023 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.96 -174.93 4.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.43 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.461 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -48.07 -51.75 23.08 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.909 0.385 . . . . 0.0 111.257 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.417 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 177.16 148.52 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.966 179.501 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.77 -144.31 16.3 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.604 -0.807 . . . . 0.0 112.906 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.458 ' CD1' ' N ' ' A' ' 17' ' ' TYR . 8.9 t80 -91.33 152.66 20.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 111.203 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.458 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 1.7 t80 -161.25 113.43 1.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.609 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -53.51 -27.82 27.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.51 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -63.4 -65.39 0.69 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.94 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.8 t -52.49 -47.27 66.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.123 0.487 . . . . 0.0 110.638 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.454 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 6.5 mm100 -52.32 -55.7 19.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.232 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 1.2 m-20 -59.0 -39.0 80.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.209 -179.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -58.42 -57.43 12.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.043 0.449 . . . . 0.0 111.268 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.0 t -53.91 -62.48 1.63 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.681 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.2 ptmm? -47.51 -37.25 11.61 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.703 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 0.7 OUTLIER -75.93 -24.11 55.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.811 0.339 . . . . 0.0 111.043 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.0 -31.56 63.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 135.27 34.7 0.25 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.529 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -142.42 -150.84 0.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.521 0.2 . . . . 0.0 110.642 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -107.36 -51.78 2.86 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.734 0.302 . . . . 0.0 110.984 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 179.86 -152.22 10.72 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.447 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -175.88 -150.22 7.92 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.534 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 t -151.83 159.13 43.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.873 0.368 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.7 m -93.82 115.19 27.58 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.604 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.471 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 24.8 mtp -116.51 103.04 10.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.325 -179.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.422 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 79.7 t80 48.52 65.25 1.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.943 0.401 . . . . 0.0 111.882 179.15 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.461 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 8.5 m-85 60.53 17.55 7.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.283 178.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 35' ' ' MET . 2.7 tttm -115.45 142.22 47.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.713 0.292 . . . . 0.0 110.244 179.299 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.659 ' O ' HG22 ' A' ' 6' ' ' VAL . 53.0 t -101.2 97.99 8.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.868 0.366 . . . . 0.0 111.116 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -103.69 153.17 20.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.76 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.5 m -98.01 -172.21 2.32 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.967 0.413 . . . . 0.0 110.937 -179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.289 -0.863 . . . . 1.0 111.138 -179.971 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 81.4 m . . . . . 0 CA--C 1.529 0.162 0 CA-C-O 120.635 0.255 . . . . 0.0 111.313 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 39' ' ' CYS . 15.7 t -50.97 -34.87 14.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.795 0.331 . . . . 0.0 111.391 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -124.66 34.01 5.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -134.54 -46.38 0.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.004 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.15 119.59 39.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.05 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 tpt85 -62.51 156.5 22.76 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.283 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.45 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 1.8 t -136.1 173.54 11.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.685 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.39 -174.77 4.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.593 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.475 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -50.79 -46.98 59.87 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.396 -179.713 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.49 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER 173.54 153.47 0.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.903 0.382 . . . . 0.0 111.121 179.926 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.94 -133.61 10.55 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.912 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.443 ' CZ ' ' HG3' ' A' ' 21' ' ' GLN . 4.2 t80 -102.36 134.27 45.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.872 0.367 . . . . 0.0 111.167 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.45 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 1.6 t80 -138.02 112.67 8.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.534 179.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.82 -35.93 34.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.683 -179.42 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.412 ' HB2' ' CD2' ' A' ' 17' ' ' TYR . 10.0 mt-10 -61.15 -57.19 13.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.18 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.4 t -55.0 -50.81 68.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.005 0.431 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.443 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 5.1 mm100 -52.33 -54.79 27.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.341 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -58.48 -38.95 78.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.19 -179.663 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.23 -58.86 6.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.365 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.8 t -53.31 -60.91 2.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.653 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 26' ' ' ASN . 4.6 ptmm? -47.97 -36.13 12.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.279 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.411 ' N ' ' HG3' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -74.73 -26.18 59.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.745 179.64 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.71 -33.15 70.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.647 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.33 -9.46 2.18 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.666 -0.778 . . . . 0.0 113.046 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 -96.47 -146.93 0.29 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.854 0.327 . . . . 0.0 110.771 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -112.67 -47.79 3.05 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.745 0.307 . . . . 0.0 111.28 -179.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.24 -155.92 14.17 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.373 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -168.87 -154.51 9.03 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.723 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 t -146.18 163.05 36.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 0.0 111.031 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.8 t -99.26 128.97 45.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.419 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 1.6 mtt -135.32 96.23 3.44 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.574 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.432 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 91.6 t80 47.17 67.72 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.938 0.399 . . . . 0.0 111.695 179.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.475 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 5.1 m-85 59.42 18.89 7.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.069 179.222 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 35' ' ' MET . 1.7 mtpt -115.37 123.09 47.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.819 0.342 . . . . 0.0 110.265 179.079 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.492 ' O ' HG22 ' A' ' 6' ' ' VAL . 42.3 t -89.77 100.94 13.65 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 -179.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 40.2 tptt -105.47 157.74 17.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.528 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.0 m -101.34 -171.77 2.05 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 120.947 0.403 . . . . 0.0 110.978 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.333 -0.841 . . . . 0.0 111.134 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.172 0 N-CA-C 111.611 0.226 . . . . 0.0 111.611 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.762 HG22 ' O ' ' A' ' 39' ' ' CYS . 6.2 t -71.82 -30.92 39.38 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 120.807 0.337 . . . . 0.0 111.1 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -123.12 31.19 6.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.66 -56.85 1.57 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.821 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 t -97.76 156.38 16.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.0 ttt180 -86.63 163.46 17.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.437 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 1.8 t -142.77 173.46 11.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.65 -178.37 5.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.81 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.486 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -51.43 -47.31 63.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.405 -179.792 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.468 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER 177.76 151.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.871 0.367 . . . . 0.0 110.98 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.57 -134.01 9.78 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.717 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -109.23 133.96 52.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.961 0.41 . . . . 0.0 111.106 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.451 ' CD2' ' HB2' ' A' ' 19' ' ' GLU . 1.9 t80 -132.98 108.88 9.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.471 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.527 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 0.9 OUTLIER -47.71 -30.46 3.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.599 -179.443 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.451 ' HB2' ' CD2' ' A' ' 17' ' ' TYR . 0.6 OUTLIER -65.91 -45.76 80.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.824 0.345 . . . . 0.0 110.819 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.8 t -67.63 -54.47 19.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.187 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.527 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -56.32 -31.47 63.74 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.859 0.362 . . . . 0.0 111.166 -179.885 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -70.31 -43.89 69.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -58.95 -56.41 22.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.163 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.8 t -54.79 -57.56 11.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.548 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.4 ' HG2' ' N ' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -51.1 -50.45 58.74 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.139 -179.637 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.4 ' N ' ' HG2' ' A' ' 25' ' ' LYS . 2.6 t-20 -62.78 -25.42 68.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.178 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.56 -33.23 64.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.776 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 138.43 34.28 0.18 Allowed Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.593 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 -139.76 -152.78 0.43 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.526 0.203 . . . . 0.0 110.593 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -105.07 -50.03 3.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.762 0.315 . . . . 0.0 111.015 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -179.33 -152.23 10.45 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.354 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -163.82 -168.92 26.59 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.569 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 t -133.48 159.62 39.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.38 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.6 t -104.91 127.31 52.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.806 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.409 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -132.79 98.77 4.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.46 -179.656 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.415 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 8.6 t80 49.74 61.77 2.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.957 0.408 . . . . 0.0 111.28 179.326 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.486 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 6.7 m-85 66.45 16.17 10.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.851 179.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 35' ' ' MET . 0.5 OUTLIER -105.02 139.08 40.23 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 179.145 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.762 ' O ' HG22 ' A' ' 6' ' ' VAL . 46.4 t -109.99 96.29 6.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.245 -179.519 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 ttpp -108.28 164.15 12.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.212 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.4 m -92.49 -173.0 3.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.984 0.421 . . . . 0.0 110.961 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.269 -0.872 . . . . 1.0 111.07 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.819 0.343 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -148.45 47.63 1.04 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.59 -74.52 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.93 95.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.991 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 92.0 m -65.26 -25.44 67.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.8 HG22 ' O ' ' A' ' 39' ' ' CYS . 12.4 t -53.23 -42.83 48.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.339 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -105.71 25.71 10.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.041 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.53 -53.62 1.01 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.801 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 t -95.5 123.95 39.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.0 ttt85 -64.89 -165.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.443 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 2.8 t -176.73 173.09 2.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.751 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.41 -178.46 5.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.844 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.467 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 20.7 tttt -46.88 -48.7 21.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.423 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.409 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.3 OUTLIER 176.78 161.41 0.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.963 0.411 . . . . 0.0 111.001 179.824 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.59 -135.19 11.36 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.675 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -113.19 116.91 30.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.807 0.337 . . . . 0.0 111.104 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.461 ' CE2' ' CB ' ' A' ' 19' ' ' GLU . 5.9 t80 -117.61 106.64 13.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.391 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.545 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 9.7 tt0 -46.73 -29.47 1.93 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.756 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.461 ' CB ' ' CE2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -65.58 -45.37 83.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.922 0.391 . . . . 0.0 110.688 179.904 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.0 t -66.7 -56.53 10.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.074 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.545 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -54.4 -31.52 55.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.084 -179.778 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.72 -44.13 70.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.648 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -58.19 -60.15 4.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.0 t -50.24 -57.88 6.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.123 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.21 -39.3 43.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.238 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.14 -24.21 61.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.163 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.43 -33.85 60.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.909 0.385 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 140.04 35.85 0.12 Allowed Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.623 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -139.04 -151.88 0.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 110.604 -0.147 . . . . 0.0 110.604 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -106.49 -44.7 4.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.792 0.33 . . . . 0.0 111.067 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 176.97 -151.54 11.26 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.414 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -167.08 -166.27 25.88 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.2 t -135.74 168.21 19.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 110.974 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.4 t -106.92 128.27 54.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.713 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.421 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -135.62 100.13 4.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.53 -179.548 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.422 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 83.0 t80 47.69 67.08 0.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.887 0.375 . . . . 0.0 111.764 179.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.467 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 5.2 m-85 58.93 18.97 6.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.042 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 35' ' ' MET . 28.2 mtpt -113.8 139.41 49.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.817 0.341 . . . . 0.0 110.275 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.8 ' O ' HG22 ' A' ' 6' ' ' VAL . 48.3 t -103.51 106.22 16.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.337 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.7 tttm -112.25 162.59 15.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.279 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.2 m -92.75 -173.36 3.3 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.003 0.43 . . . . 0.0 111.039 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.205 -0.902 . . . . 1.0 111.093 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.779 0.323 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 47.1 ttp180 -178.53 107.78 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.834 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -69.48 -71.05 0.24 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.4 t 58.27 93.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.9 t -85.44 -19.24 31.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.281 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.779 HG22 ' O ' ' A' ' 39' ' ' CYS . 15.0 t -49.52 -46.97 20.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.796 0.331 . . . . 0.0 111.457 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -94.51 -24.92 17.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.065 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -65.52 -66.36 0.56 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.082 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 t -89.55 162.71 15.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.077 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -93.22 -164.92 1.24 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.019 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.449 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 1.9 t -170.13 174.22 5.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.792 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.6 -178.61 5.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.723 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.488 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 6.2 ttmt -50.14 -44.99 52.71 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.741 0.305 . . . . 0.0 111.544 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.411 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 174.35 156.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.043 179.833 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.35 -134.07 11.16 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.76 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -107.93 131.66 54.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.837 0.351 . . . . 0.0 111.068 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.449 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 1.7 t80 -130.9 109.07 10.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.518 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.502 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 1.7 tp60 -49.65 -30.38 8.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.408 -179.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.85 -40.47 87.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.914 0.388 . . . . 0.0 110.711 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.9 t -71.2 -55.42 8.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.012 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.502 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -55.2 -33.3 62.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.012 -179.883 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.408 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 20.5 t70 -69.41 -46.24 67.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.71 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.98 -55.8 30.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.4 t -52.89 -60.17 3.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.593 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -52.6 -29.37 25.48 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.234 -179.589 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.42 ' N ' ' HG3' ' A' ' 25' ' ' LYS . 1.1 t-20 -79.23 -23.62 43.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.857 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.04 -32.06 50.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.821 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 137.05 37.78 0.16 Allowed Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.562 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -141.47 -150.64 0.32 Allowed 'General case' 0 C--N 1.33 -0.246 0 O-C-N 122.866 -0.196 . . . . 0.0 110.688 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -110.5 -52.02 2.82 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.723 0.297 . . . . 0.0 111.101 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -173.5 -152.16 8.66 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.435 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -170.11 -155.59 10.34 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.554 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 t -144.57 164.6 30.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.843 0.354 . . . . 0.0 110.981 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.2 t -107.69 128.76 54.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.784 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.436 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 8.8 mmm -134.41 100.25 4.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.545 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.418 ' CG ' ' O ' ' A' ' 36' ' ' PHE . 8.8 t80 48.4 63.13 2.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.009 0.433 . . . . 0.0 111.636 179.23 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.488 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 7.0 m-85 65.0 17.23 11.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.046 179.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 35' ' ' MET . 9.7 mtpt -109.26 139.13 44.59 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.813 0.34 . . . . 0.0 110.24 178.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.779 ' O ' HG22 ' A' ' 6' ' ' VAL . 40.6 t -108.13 98.18 7.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.324 -179.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -106.34 162.87 13.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.312 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 7.1 m -98.04 -172.62 2.4 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 120.891 0.377 . . . . 0.0 111.131 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.161 -0.923 . . . . 0.0 111.068 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.804 0.335 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.8 ttt-85 -177.97 107.33 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.91 -71.55 0.5 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 m 56.86 100.54 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.052 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.2 t -75.37 -21.02 58.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.063 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.803 HG22 ' O ' ' A' ' 39' ' ' CYS . 19.4 t -49.17 -54.33 6.06 Favored 'Isoleucine or valine' 0 C--O 1.231 0.13 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.428 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.83 -28.68 24.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.964 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -66.26 -66.25 0.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.982 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.2 t -86.03 153.26 22.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.046 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -87.2 -164.82 1.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.009 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.441 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 2.6 t -172.66 173.08 4.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.681 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.45 178.86 6.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.793 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.466 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 43.8 tttm -46.32 -44.72 16.98 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.367 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.428 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER 174.52 166.54 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.916 0.389 . . . . 0.0 111.077 179.433 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.83 -133.89 11.82 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.705 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -107.16 137.88 44.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.891 0.377 . . . . 0.0 111.045 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.441 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 0.7 OUTLIER -134.47 107.82 7.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.496 179.725 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.477 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 0.9 OUTLIER -45.63 -37.45 5.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.606 -179.528 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -62.91 -46.24 88.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.844 0.354 . . . . 0.0 111.005 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.34 -52.87 63.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.191 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.477 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 4.3 pt20 -55.8 -35.25 66.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.835 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.445 ' N ' ' HG3' ' A' ' 21' ' ' GLN . 26.3 t0 -67.1 -36.38 81.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -68.31 -62.24 1.49 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.185 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.42 ' SG ' ' HB2' ' A' ' 29' ' ' HIS . 6.8 t -47.31 -49.82 23.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.709 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.78 -49.75 67.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.41 179.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.69 -25.75 60.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.835 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.42 -31.79 48.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.615 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 129.84 38.27 0.33 Allowed Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.367 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.42 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 74.4 m-70 -134.95 -148.34 0.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.357 0.122 . . . . 0.0 110.971 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -119.05 -38.07 3.11 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-O 120.627 0.251 . . . . 0.0 111.295 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 175.19 -151.88 12.76 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.374 -0.917 . . . . 0.0 112.5 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -171.73 -163.66 26.04 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.575 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.0 t -131.73 163.0 29.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.933 0.397 . . . . 0.0 111.039 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.1 t -109.63 125.23 52.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.802 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.426 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -130.32 99.11 4.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.543 -179.605 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.419 ' CG ' ' O ' ' A' ' 36' ' ' PHE . 22.8 t80 49.07 61.87 2.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.977 0.418 . . . . 0.0 111.46 179.226 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.466 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 6.9 m-85 67.15 15.98 10.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.007 179.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 35' ' ' MET . 12.2 mmtt -103.17 140.36 37.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.75 0.31 . . . . 0.0 110.216 178.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.803 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -107.38 91.99 3.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.401 -179.472 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -102.13 161.63 13.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.318 179.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.3 m -95.74 -173.11 2.77 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.013 0.435 . . . . 0.0 111.12 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.216 -0.897 . . . . 0.0 111.178 179.914 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.814 0.34 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.9 mtp-105 -134.95 50.7 2.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -59.61 -68.84 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.935 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.03 103.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.7 t -74.36 -14.86 60.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.317 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.791 HG22 ' O ' ' A' ' 39' ' ' CYS . 19.9 t -51.29 -32.4 12.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.789 0.328 . . . . 0.0 111.405 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -117.49 31.34 6.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.0 -51.75 1.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.996 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.0 t -104.86 127.54 52.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.153 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -164.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.257 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.455 ' HA ' ' CE2' ' A' ' 17' ' ' TYR . 2.4 t -174.57 173.32 2.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.451 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.54 -174.91 4.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.651 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.465 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -53.27 -43.34 67.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.792 0.33 . . . . 0.0 111.097 -179.741 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.441 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 171.54 160.47 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.927 0.394 . . . . 0.0 111.005 179.621 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.1 -133.66 11.56 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.918 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -99.59 143.52 29.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.896 0.379 . . . . 0.0 111.256 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.455 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 3.1 t80 -153.38 101.7 2.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.373 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.507 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 10.4 tt0 -47.76 -29.2 2.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.614 -179.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -63.99 -48.35 76.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.97 0.414 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.5 t -66.24 -56.37 11.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.159 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.507 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -55.27 -32.26 62.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.234 -179.651 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -68.25 -45.37 73.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.69 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -58.42 -61.78 2.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.987 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.5 t -47.86 -55.58 9.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.053 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.85 -31.9 60.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.963 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -75.57 -23.63 56.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.174 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.77 -47.01 19.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.912 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 156.44 38.05 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.319 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 -140.34 -150.94 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.414 0.15 . . . . 0.0 110.765 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -110.48 -40.28 4.67 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.769 0.319 . . . . 0.0 111.04 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 174.62 -150.71 11.61 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.467 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -168.32 -163.64 22.64 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.528 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.6 t -139.59 160.92 38.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.824 0.345 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.3 t -99.82 129.24 45.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.726 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.422 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 15.3 mtt -134.52 94.8 3.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.399 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.413 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 78.4 t80 49.42 62.89 2.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.032 0.444 . . . . 0.0 111.385 179.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.465 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 5.2 m-85 63.9 17.07 10.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.963 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 35' ' ' MET . 0.4 OUTLIER -111.44 121.83 46.23 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.834 0.35 . . . . 0.0 110.21 179.034 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.791 ' O ' HG22 ' A' ' 6' ' ' VAL . 49.1 t -89.9 100.24 13.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.33 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.5 tttm -106.69 162.32 13.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.26 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.5 m -92.54 -173.38 3.35 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.996 0.427 . . . . 0.0 111.162 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.152 -0.928 . . . . 0.0 111.05 179.963 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.839 0.352 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.9 mtp180 -116.65 60.93 0.73 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.4 -30.52 11.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 74.2 m -114.01 26.86 9.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.153 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.0 t 55.3 24.39 6.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.176 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.2 t -63.56 -51.43 70.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.488 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.76 25.67 9.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.277 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -115.7 -46.67 2.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.881 0.372 . . . . 0.0 110.768 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.8 t -115.42 143.03 45.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.713 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.64 152.47 25.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.022 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.8 t -135.72 172.11 13.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.641 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.32 -177.14 5.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.687 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.486 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 13.6 tttp -46.55 -46.29 19.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.399 -179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.431 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.2 OUTLIER 176.68 162.83 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 111.013 179.607 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 115.41 -134.39 11.53 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.817 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -115.98 131.23 57.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.871 0.367 . . . . 0.0 111.306 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -135.35 109.02 7.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.327 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.528 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 13.3 tt0 -45.09 -31.8 1.52 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.662 -179.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.33 -44.01 96.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.821 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.5 t -69.43 -57.49 5.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.091 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.528 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -53.82 -32.22 51.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.064 -179.774 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 27.8 t70 -69.58 -45.94 67.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.569 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -56.91 -56.01 27.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.01 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.4 t -53.58 -61.43 2.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.597 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 26' ' ' ASN . 2.5 pttp -50.61 -30.35 13.15 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.374 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.441 ' N ' ' HG3' ' A' ' 25' ' ' LYS . 2.1 t-20 -80.05 -23.11 41.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.828 0.347 . . . . 0.0 110.847 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.66 -32.88 58.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 139.43 37.1 0.12 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.552 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 61.2 m-70 -140.24 -150.98 0.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.427 0.156 . . . . 0.0 110.673 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -109.66 -49.43 3.1 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.747 0.308 . . . . 0.0 111.039 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -171.32 -157.97 14.32 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.305 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -162.76 -166.41 21.5 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.534 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.496 HG23 ' SD ' ' A' ' 35' ' ' MET . 6.2 t -138.13 173.28 11.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.955 0.407 . . . . 0.0 111.043 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.2 t -113.27 126.31 55.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.496 ' SD ' HG23 ' A' ' 33' ' ' THR . 0.0 OUTLIER -135.27 101.37 4.82 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.971 -179.635 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.426 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 83.4 t80 47.06 64.58 1.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 112.015 178.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.486 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 4.4 m-85 62.76 19.46 11.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.833 179.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -114.1 139.65 49.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.845 0.355 . . . . 0.0 110.383 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.5 t -103.19 99.77 9.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.987 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -103.53 166.37 10.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.42 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.0 m -101.07 -172.28 2.14 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 120.968 0.413 . . . . 0.0 110.984 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.239 -0.886 . . . . 1.0 111.057 -179.948 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.803 0.335 . . . . 0.0 111.249 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -179.24 107.75 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.24 -79.27 0.61 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.801 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.4 m 51.23 91.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.111 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 94.8 m -60.37 -29.1 68.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.5 t -50.37 -35.75 12.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.418 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.54 37.59 4.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.2 ttpp -125.75 -50.75 1.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 t -108.38 152.3 24.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -88.32 156.62 19.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.471 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 2.0 t -136.89 171.24 14.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.53 -178.44 5.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.699 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.48 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 28.6 tttt -47.07 -42.83 19.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.75 0.309 . . . . 0.0 111.335 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.429 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 171.42 165.26 0.09 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.953 0.406 . . . . 0.0 110.901 179.557 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.19 -133.75 11.84 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.609 -0.805 . . . . 0.0 113.021 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.464 ' CZ ' ' HG3' ' A' ' 21' ' ' GLN . 3.9 t80 -103.77 139.07 39.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.875 0.369 . . . . 0.0 111.257 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.471 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 1.4 t80 -145.89 110.38 5.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.452 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.78 -32.89 3.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.75 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.448 ' HB2' ' CD2' ' A' ' 17' ' ' TYR . 8.3 mt-10 -63.41 -64.14 0.99 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.078 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.1 t -52.72 -49.18 65.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.006 0.431 . . . . 0.0 110.955 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.464 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 1.1 mm100 -53.15 -54.52 34.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.194 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.447 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 61.4 m-20 -59.63 -29.79 68.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.887 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -63.53 -57.69 9.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.238 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.451 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 3.1 t -59.89 -63.29 1.35 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.405 -179.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -41.97 -54.32 3.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.565 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 1.7 t-20 -66.78 -26.55 67.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.741 0.305 . . . . 0.0 111.071 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 24' ' ' CYS . . . -65.27 -31.04 71.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.676 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 137.75 -3.86 3.23 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.952 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 53.9 m-70 -102.71 -147.49 0.37 Allowed 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.704 0.252 . . . . 0.0 110.7 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -107.22 -52.18 2.8 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.786 0.327 . . . . 0.0 111.01 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.42 ' HA3' ' OE1' ' A' ' 21' ' ' GLN . . . -175.46 -163.12 27.83 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.174 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -157.61 -174.39 27.26 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.582 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.3 t -130.72 159.4 37.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.907 0.384 . . . . 0.0 111.037 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.4 t -100.69 123.91 45.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.774 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.4 ' O ' ' CB ' ' A' ' 38' ' ' LYS . 2.4 mmt -131.23 102.9 6.18 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.507 -179.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.426 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 92.7 t80 45.37 71.75 0.26 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.907 179.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.48 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 5.0 m-85 55.4 21.32 4.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.924 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.4 ' CB ' ' O ' ' A' ' 35' ' ' MET . 8.5 tttt -114.54 140.35 48.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.802 0.334 . . . . 0.0 110.517 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.6 t -106.29 100.34 9.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.06 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.4 tptt -110.02 163.85 13.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.59 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.1 m -102.54 -171.2 1.92 Allowed 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 120.904 0.383 . . . . 0.0 111.048 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.266 -0.874 . . . . 1.0 111.141 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.2 t0 . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.83 0.347 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -111.07 37.06 2.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -85.07 -71.64 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.7 p 50.03 84.94 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.4 t -63.42 -26.41 68.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 39' ' ' CYS . 11.3 t -51.68 -36.47 18.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.302 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.05 36.7 4.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.823 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.62 -55.5 0.95 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 t -91.41 154.54 19.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -84.13 152.3 24.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -133.28 165.69 24.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.477 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.82 -179.11 5.66 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.413 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.448 ' HG2' ' CE2' ' A' ' 14' ' ' TYR . 42.5 tttt -50.69 -42.42 56.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.86 0.362 . . . . 0.0 110.682 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.448 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 172.59 153.68 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.861 179.35 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.47 -145.0 18.26 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.956 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 17' ' ' TYR . 6.0 t80 -95.62 152.68 18.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.808 0.337 . . . . 0.0 111.184 -179.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.453 ' CE2' ' CB ' ' A' ' 19' ' ' GLU . 4.4 t80 -157.5 104.35 2.0 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.604 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -47.29 -32.22 4.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.464 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.453 ' CB ' ' CE2' ' A' ' 17' ' ' TYR . 0.4 OUTLIER -57.28 -61.2 2.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.727 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -55.08 -37.8 67.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.643 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.4 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -54.84 -56.12 22.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.684 179.662 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.489 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 1.6 m-20 -55.88 -36.93 68.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.543 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 t -58.83 -61.27 2.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.33 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.44 -58.99 5.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.803 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 26' ' ' ASN . 1.5 pttp -50.43 -33.09 19.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.29 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.489 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 0.9 OUTLIER -76.1 -26.23 56.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.892 0.377 . . . . 0.0 110.487 179.402 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.74 -28.48 60.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.826 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 130.6 34.4 0.45 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.749 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 -140.69 -151.11 0.35 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.545 0.212 . . . . 0.0 110.748 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -103.98 -57.81 1.98 Allowed 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.735 0.302 . . . . 0.0 111.241 -179.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -169.67 -157.31 11.88 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.363 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -164.81 -168.91 27.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.629 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.4 t -140.45 156.29 46.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.776 0.322 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 m -94.26 116.41 28.8 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.643 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.6 mmm -117.2 100.42 7.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.022 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 41.3 t80 49.62 61.49 3.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.967 0.413 . . . . 0.0 111.316 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.432 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 5.5 m-85 64.27 18.56 11.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.775 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.41 137.29 48.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.756 0.313 . . . . 0.0 110.495 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.518 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -95.65 89.46 5.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.249 -179.634 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.25 162.82 13.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.709 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.1 m -104.3 -170.68 1.8 Allowed 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.962 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.297 -0.859 . . . . 0.0 111.127 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 120.807 0.337 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 52.99 93.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.078 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -81.57 -73.37 0.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.5 m 54.39 82.39 0.09 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.98 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -59.21 -20.93 58.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.071 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 39' ' ' CYS . 3.8 p -51.31 -45.89 33.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.066 0.46 . . . . 0.0 111.021 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.468 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 3.8 t70 -110.57 30.03 7.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.9 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.09 -65.58 0.98 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.769 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.1 t -90.73 150.7 21.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.746 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -77.23 -165.09 0.53 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.428 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 2.0 t -174.99 176.23 2.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.567 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.49 -174.66 4.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.724 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.425 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 4.0 ttmt -58.24 -43.46 87.79 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.764 0.316 . . . . 0.0 111.192 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.1 OUTLIER 176.21 153.32 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 111.045 179.898 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 120.24 -134.51 10.46 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.705 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -109.31 133.13 53.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 0.0 111.047 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.428 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 1.4 t80 -133.62 110.77 10.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.573 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.521 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 5.4 tt0 -48.5 -28.47 3.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.47 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -66.34 -40.45 89.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.823 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -71.71 -53.39 13.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.521 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -58.18 -32.2 68.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.846 0.355 . . . . 0.0 111.02 -179.89 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -73.02 -39.16 66.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.579 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -62.81 -58.46 7.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.796 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.6 t -54.17 -55.12 30.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.23 -39.48 30.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.093 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -74.79 -24.55 58.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.063 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.57 -30.03 62.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.969 0.414 . . . . 0.0 110.795 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 134.01 34.67 0.29 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.484 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -140.03 -150.27 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.411 0.148 . . . . 0.0 110.666 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -107.28 -46.77 3.8 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.772 0.32 . . . . 0.0 111.006 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.87 -151.34 10.24 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.507 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -167.51 -162.41 19.25 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.6 t -139.23 165.04 28.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.856 0.36 . . . . 0.0 110.979 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.8 t -105.78 127.7 53.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.746 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.503 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -132.54 92.61 3.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.706 -179.414 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.421 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 74.6 t80 51.93 62.71 2.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.924 0.393 . . . . 0.0 111.785 178.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.425 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 4.0 m-85 65.36 8.42 4.95 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.316 0.488 . . . . 0.0 112.316 179.14 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.503 ' HB2' ' O ' ' A' ' 35' ' ' MET . 0.0 OUTLIER -105.96 126.32 52.05 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 120.885 0.374 . . . . 0.0 110.206 179.416 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.633 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -89.89 117.74 28.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.507 -179.161 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.61 159.95 28.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.19 179.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.8 m -95.8 -173.08 2.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.053 0.454 . . . . 0.0 111.041 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.245 -0.883 . . . . 1.0 111.089 179.945 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.7 t0 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.794 0.33 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 58.5 32.05 21.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.965 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -59.07 -70.06 0.17 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 m 55.63 99.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.955 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 96.3 m -59.58 -27.77 66.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.968 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.602 HG22 ' O ' ' A' ' 39' ' ' CYS . 14.7 t -52.34 -31.98 15.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.328 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.4 29.26 8.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -137.39 -58.64 0.69 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.8 t -91.28 112.99 25.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -164.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.2 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.459 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 0.8 OUTLIER -171.45 176.16 3.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.717 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.66 -176.36 4.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.44 ' HG2' ' CE2' ' A' ' 14' ' ' TYR . 72.6 tttt -52.51 -43.26 64.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.171 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.44 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER 178.76 168.34 0.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.952 0.406 . . . . 0.0 111.065 179.7 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.92 -137.48 13.95 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.61 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -113.69 133.04 55.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.895 0.379 . . . . 0.0 110.92 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.462 ' CE2' ' HB2' ' A' ' 19' ' ' GLU . 4.0 t80 -130.78 106.27 8.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.429 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.517 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 0.2 OUTLIER -45.87 -30.19 1.63 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.571 -179.526 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.462 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -66.02 -40.9 91.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.87 0.367 . . . . 0.0 110.517 179.801 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.4 t -69.85 -56.35 7.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.865 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.517 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -56.33 -31.49 63.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -68.23 -46.75 69.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.619 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.2 t -58.83 -59.71 5.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.837 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 18.9 t -46.92 -56.25 6.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.299 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.65 -35.63 66.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.774 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.34 -24.51 63.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.078 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.96 -39.75 33.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.823 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 146.36 37.93 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.511 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 -139.51 -150.2 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.444 0.164 . . . . 0.0 110.785 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -114.75 -48.11 2.86 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.681 0.277 . . . . 0.0 111.4 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -175.13 -149.8 7.49 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.468 -0.873 . . . . 0.0 112.393 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.412 ' HA3' ' O ' ' A' ' 40' ' ' LYS . . . -177.33 -169.49 38.52 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.748 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.5 t -117.86 163.33 16.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.73 0.3 . . . . 0.0 110.72 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 47.5 t -117.93 117.47 29.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.908 0.385 . . . . 0.0 111.304 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.656 ' O ' ' N ' ' A' ' 37' ' ' PHE . 24.8 mtp -102.75 -162.88 0.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.571 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.429 ' O ' ' HB2' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -53.69 70.09 0.0 OUTLIER 'General case' 0 C--O 1.231 0.117 0 CA-C-O 121.396 0.617 . . . . 0.0 111.053 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.656 ' N ' ' O ' ' A' ' 35' ' ' MET . 4.1 m-85 67.24 33.09 5.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.392 -179.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -123.31 133.38 54.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.655 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.602 ' O ' HG22 ' A' ' 6' ' ' VAL . 46.4 t -100.75 107.8 19.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.002 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.412 ' O ' ' HA3' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -118.18 156.84 28.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.444 179.64 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 12.4 m -88.27 -174.13 4.5 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 120.998 0.427 . . . . 0.0 111.144 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.291 -0.861 . . . . 1.0 111.092 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.817 0.341 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.24 32.13 3.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.44 -82.5 0.43 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.003 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.8 m 53.04 66.23 1.29 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.901 0.382 . . . . 0.0 111.025 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.49 -28.33 69.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.082 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 39' ' ' CYS . 3.3 p -41.1 -45.97 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 CA-C-O 121.027 0.441 . . . . 0.0 111.583 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.459 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 1.1 t0 -116.74 39.97 3.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.795 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -129.9 -46.63 1.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.965 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 t -103.26 149.36 24.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.3 ttm-85 -86.24 152.82 22.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.918 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.445 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 1.6 t -131.22 174.06 10.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.813 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.4 -172.33 3.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.743 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.516 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 0.7 OUTLIER -57.12 -43.21 82.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.411 -179.609 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.436 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.1 OUTLIER 174.16 155.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.922 0.391 . . . . 0.0 111.185 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.75 -136.51 12.81 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.859 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -107.08 126.33 52.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.852 0.358 . . . . 0.0 111.131 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.445 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 1.2 t80 -123.35 112.3 17.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.417 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.521 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 0.5 OUTLIER -51.05 -26.66 6.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.38 -179.649 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.66 -40.65 72.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.767 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -48.15 53.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.071 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.521 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -62.57 -32.0 72.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.834 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.52 -44.84 70.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.743 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -58.45 -61.0 2.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.5 t -51.13 -56.8 10.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.232 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.08 -39.26 41.92 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.971 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.28 -25.75 63.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.943 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.28 -31.47 60.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.783 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 134.89 35.32 0.25 Allowed Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.613 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -137.19 -151.39 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 O-C-N 122.906 -0.173 . . . . 0.0 110.61 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -104.3 -50.8 3.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.732 0.301 . . . . 0.0 111.085 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -174.95 -156.09 13.62 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.535 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.11 170.58 33.83 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.783 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.4 t -112.06 165.45 12.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.895 0.379 . . . . 0.0 110.87 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.3 t -116.21 121.84 43.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.414 ' O ' ' CB ' ' A' ' 38' ' ' LYS . 0.8 OUTLIER -127.96 100.75 6.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.619 -179.617 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.427 ' HA ' ' O ' ' A' ' 13' ' ' LYS . 85.6 t80 43.46 75.85 0.09 Allowed 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 178.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.516 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 3.9 m-85 54.76 20.12 2.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.939 179.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 35' ' ' MET . 8.6 tttm -114.86 134.87 54.79 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.747 0.308 . . . . 0.0 110.176 179.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.672 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -102.75 124.26 47.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.959 0.409 . . . . 0.0 111.305 -179.343 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.95 166.58 23.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.376 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.3 m -92.28 -173.96 3.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.124 0.487 . . . . 0.0 111.104 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.248 -0.882 . . . . 1.0 111.177 179.955 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.852 0.358 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -158.96 98.05 1.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.23 -81.65 0.31 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.69 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 65.8 m 53.06 97.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.15 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 57.8 m -64.12 -16.92 62.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.109 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.809 HG22 ' O ' ' A' ' 39' ' ' CYS . 17.7 t -51.03 -40.58 21.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 120.877 0.37 . . . . 0.0 111.401 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.48 -28.2 13.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.93 -65.39 0.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.028 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 t -94.12 145.05 24.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.066 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -89.33 165.28 14.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.45 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 2.4 t -141.77 168.72 19.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.967 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.63 -169.28 2.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.931 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.522 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 1.2 ttpt -47.2 -59.59 3.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.382 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.447 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -177.93 162.0 1.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.01 179.674 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.39 -132.15 10.59 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.648 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -107.45 135.0 49.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.876 0.369 . . . . 0.0 111.106 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.45 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 3.8 t80 -138.59 109.51 6.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.435 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.532 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 0.2 OUTLIER -47.21 -30.4 2.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.596 -179.452 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.448 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 1.9 tt0 -67.03 -45.1 78.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.934 0.397 . . . . 0.0 110.843 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.92 -52.62 34.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.2 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.532 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -58.02 -30.33 66.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.006 -179.834 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.06 -41.39 67.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.595 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -60.11 -60.38 3.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.926 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.3 t -53.76 -55.47 26.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.954 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.09 -42.41 28.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.609 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.19 -27.29 66.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.728 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.57 -32.74 70.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.797 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 141.47 -7.66 2.55 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.64 -0.791 . . . . 0.0 113.09 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -94.7 -146.68 0.26 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.889 0.345 . . . . 0.0 110.781 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -109.35 -45.57 3.7 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.699 0.285 . . . . 0.0 111.213 -179.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -177.19 -157.07 17.37 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.477 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.45 174.52 34.22 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.68 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 t -119.08 161.68 19.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.92 0.39 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.9 t -102.82 126.59 50.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.834 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 40.3 mtp -132.86 94.02 3.3 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.689 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.413 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 78.8 t80 49.01 64.53 1.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.762 179.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.522 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 7.4 m-85 62.49 16.73 8.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.019 179.119 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -111.44 125.63 54.08 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 178.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.809 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -89.92 109.94 20.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.416 -179.157 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.98 165.58 13.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.223 179.397 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.1 m -96.83 -172.95 2.58 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 121.03 0.443 . . . . 0.0 111.078 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.28 -0.867 . . . . 0.0 111.123 179.973 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.768 0.318 . . . . 0.0 111.264 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 17.7 mtp85 -148.96 51.42 0.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.81 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.78 -76.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.9 m 54.59 85.71 0.06 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.064 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 32.6 m -65.14 -27.68 68.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.972 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.508 HG22 ' O ' ' A' ' 39' ' ' CYS . 16.2 t -51.2 -40.88 23.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.867 0.365 . . . . 0.0 111.245 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.25 25.59 9.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.78 -50.54 1.24 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.15 131.24 44.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.6 ttt85 -77.97 153.83 32.1 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -129.55 165.44 21.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.06 178.54 6.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.62 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.441 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 15.3 tttt -42.28 -44.0 3.67 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.416 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.44 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER 173.82 160.56 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.963 0.411 . . . . 0.0 111.225 179.352 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.39 -137.27 14.05 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.929 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 17' ' ' TYR . 13.9 t80 -110.35 155.09 22.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 0.0 111.003 -179.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.463 ' CE2' ' CB ' ' A' ' 19' ' ' GLU . 4.4 t80 -159.32 111.08 2.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.478 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.512 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -48.54 -28.36 3.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.532 -179.483 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.463 ' CB ' ' CE2' ' A' ' 17' ' ' TYR . 0.9 OUTLIER -65.63 -51.1 62.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.796 0.332 . . . . 0.0 111.026 -179.883 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.4 t -64.25 -56.14 16.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.948 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.512 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -54.76 -31.25 58.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 -179.877 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.0 -43.81 74.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.718 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.2 t -58.65 -59.27 5.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.858 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.7 t -50.34 -57.07 8.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.101 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.76 -42.32 62.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.223 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -67.87 -25.4 65.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.229 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.3 -34.67 61.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.979 0.418 . . . . 0.0 110.785 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 139.56 35.27 0.14 Allowed Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.633 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -138.16 -151.58 0.39 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.558 0.218 . . . . 0.0 110.623 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -106.67 -49.84 3.24 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.752 0.311 . . . . 0.0 111.148 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 179.99 -150.9 9.5 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.481 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -168.79 -156.87 10.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.475 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.5 t -150.18 152.85 35.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.869 0.366 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.9 m -91.72 119.21 31.36 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.6 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.405 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 5.9 mtt -123.03 106.41 10.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 18.7 t80 47.99 62.72 2.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.625 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.441 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 4.7 m-85 60.72 22.01 11.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.95 179.234 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 35' ' ' MET . 1.6 mtpt -116.64 146.58 42.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.673 0.273 . . . . 0.0 110.31 179.114 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.508 ' O ' HG22 ' A' ' 6' ' ' VAL . 51.6 t -108.29 98.6 8.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.936 0.398 . . . . 0.0 111.333 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -106.63 161.69 14.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.406 179.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.3 m -92.1 -173.06 3.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.982 0.42 . . . . 0.0 111.038 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.268 -0.873 . . . . 1.0 111.137 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.815 0.34 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.4 tpm_? 64.14 108.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.07 -76.29 0.37 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.747 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.82 102.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.76 -15.62 63.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.306 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.2 t -46.71 -30.43 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-O 120.841 0.353 . . . . 0.0 111.607 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -125.37 34.91 4.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.61 -59.41 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.7 t -97.23 151.35 19.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.006 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.0 ttt85 -86.79 164.58 16.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.97 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.3 t -141.54 172.39 12.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.777 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.43 -172.53 3.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.976 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.519 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 28.3 tttp -54.63 -41.29 69.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.331 -179.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.411 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.2 OUTLIER 171.68 158.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 0.0 111.061 179.715 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 115.66 -133.99 11.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.871 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -112.58 125.41 54.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.796 0.332 . . . . 0.0 111.142 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -123.04 109.65 14.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.401 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.518 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 0.6 OUTLIER -44.53 -41.37 6.39 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.815 -179.328 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -58.83 -41.69 87.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.885 0.374 . . . . 0.0 110.958 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.39 -55.1 20.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.206 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.518 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -57.02 -29.18 63.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.114 -179.69 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.428 ' N ' ' HG3' ' A' ' 21' ' ' GLN . 1.9 t70 -70.4 -44.11 68.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -61.26 -57.7 11.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.111 0.482 . . . . 0.0 110.847 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.3 t -51.03 -58.16 6.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.321 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.7 ptmm? -52.0 -35.55 47.05 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 0.7 OUTLIER -71.28 -25.33 62.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.747 179.803 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.38 -32.44 54.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 136.87 36.58 0.18 Allowed Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.633 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -138.53 -152.13 0.41 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.472 0.177 . . . . 0.0 110.726 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -104.23 -55.91 2.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.737 0.303 . . . . 0.0 111.078 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -166.54 -160.44 13.77 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.343 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -151.18 173.84 30.54 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.653 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.1 t -120.69 171.65 8.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.971 0.415 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.5 t -116.69 123.03 46.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.821 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.543 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 70.9 mtp -127.5 89.59 2.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.593 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.426 ' HA ' ' O ' ' A' ' 13' ' ' LYS . 78.0 t80 52.42 60.59 3.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.002 0.43 . . . . 0.0 111.501 179.238 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.519 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 6.3 m-85 71.65 6.93 5.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.327 179.16 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.543 ' HB2' ' O ' ' A' ' 35' ' ' MET . 9.6 mmtt -100.4 125.53 46.69 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.817 0.341 . . . . 0.0 110.334 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.79 99.04 12.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.223 -179.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.12 172.18 6.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.424 179.479 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.9 m -101.15 -172.26 2.14 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.057 0.456 . . . . 0.0 111.083 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.222 -0.894 . . . . 1.0 111.002 -179.884 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.766 0.317 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.1 tpp180 -178.14 107.38 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -82.03 -74.0 0.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 54.62 90.88 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.116 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.4 m -71.64 -13.49 61.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.256 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.465 ' CG1' ' N ' ' A' ' 7' ' ' ASP . 3.2 p -52.44 -45.43 45.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 121.057 0.456 . . . . 0.0 111.228 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.465 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -97.97 -21.55 16.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.993 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -70.83 -67.28 0.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.719 0.295 . . . . 0.0 110.964 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 t -92.58 151.82 19.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.961 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -91.25 165.63 13.36 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.774 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.488 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 1.7 t -141.15 170.03 16.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.897 0.379 . . . . 0.0 111.108 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.7 -171.83 3.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.787 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.468 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 16.0 tttt -51.98 -42.78 63.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.311 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.425 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.2 OUTLIER 171.66 161.67 0.1 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.848 0.356 . . . . 0.0 111.116 179.802 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 109.01 -158.44 14.6 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.926 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -84.21 114.26 21.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.879 0.371 . . . . 0.0 111.223 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.488 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 2.8 t80 -115.42 97.39 6.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.026 179.154 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -40.71 -32.58 0.22 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.753 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -59.88 -50.17 74.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.963 0.411 . . . . 0.0 110.675 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.63 -41.0 96.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.914 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -46.06 86.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.816 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -63.93 -37.34 87.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.668 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -59.61 -60.11 4.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 4.3 t -56.18 -54.12 49.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.06 -48.7 33.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.879 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.93 -28.16 69.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.777 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 24' ' ' CYS . . . -68.64 -32.5 72.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.778 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 140.02 -5.01 2.71 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.724 -0.75 . . . . 0.0 113.035 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 -100.48 -147.49 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.831 0.315 . . . . 0.0 110.728 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -109.76 -49.64 3.07 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.665 0.269 . . . . 0.0 111.227 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -174.26 -152.3 8.96 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.588 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -164.19 -165.34 21.25 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.698 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 t -136.25 165.22 26.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.918 0.389 . . . . 0.0 111.064 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.4 t -107.56 124.89 50.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.4 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 0.5 OUTLIER -131.26 92.77 3.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.498 -179.748 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.416 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 79.6 t80 49.56 63.11 2.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.005 0.431 . . . . 0.0 111.365 179.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.468 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 6.1 m-85 65.77 15.32 10.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.836 179.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 35' ' ' MET . 25.1 mmmt -105.22 123.54 48.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.839 0.352 . . . . 0.0 110.412 179.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.91 97.98 11.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -106.99 163.11 13.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.488 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.9 m -102.33 -171.62 1.99 Allowed 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 120.963 0.411 . . . . 0.0 110.923 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.222 -0.894 . . . . 1.0 111.096 179.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.842 0.353 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 -98.4 37.45 1.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.746 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.61 -73.22 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.989 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.9 t -175.05 -108.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.979 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.1 t -175.36 -32.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.07 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.808 HG22 ' O ' ' A' ' 39' ' ' CYS . 17.5 t -42.66 -35.52 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.649 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -119.21 35.91 4.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.772 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.5 ttpp -134.7 -52.69 0.81 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 t -103.24 150.47 23.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -87.15 164.91 16.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.451 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 2.2 t -144.41 170.07 16.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.41 -173.06 3.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.641 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.495 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 53.8 tttt -49.26 -48.61 45.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.726 0.298 . . . . 0.0 111.213 -179.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.435 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 172.98 164.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 110.961 179.67 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.31 -133.62 11.7 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.797 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.454 ' CZ ' ' HG3' ' A' ' 21' ' ' GLN . 1.9 t80 -103.27 131.04 50.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.982 0.42 . . . . 0.0 111.214 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.451 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 2.0 t80 -137.23 101.5 4.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.12 179.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -42.79 -34.19 0.89 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.0 -179.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.444 ' HB2' ' CD2' ' A' ' 17' ' ' TYR . 15.9 mt-10 -59.44 -57.83 11.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.962 0.411 . . . . 0.0 110.842 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.89 -36.56 74.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.966 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.454 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -59.72 -56.63 19.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.018 -179.901 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.453 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 43.7 m-20 -56.53 -35.24 67.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.959 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.39 -57.47 12.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.294 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.8 t -58.72 -62.92 1.5 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.895 -179.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 26' ' ' ASN . 9.7 pttm -44.55 -45.9 9.62 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.857 -179.215 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.453 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 0.7 OUTLIER -71.83 -24.77 61.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 111.043 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.23 -28.97 64.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 132.94 31.74 0.43 Allowed Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.75 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 -139.36 -151.99 0.4 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.581 0.229 . . . . 0.0 110.668 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -103.79 -57.56 2.02 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.797 0.332 . . . . 0.0 111.134 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -164.84 -162.26 15.52 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.215 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.79 176.74 33.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.566 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.4 t -129.14 164.84 22.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.9 t -104.29 132.13 50.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.433 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -137.22 96.62 3.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.642 -179.587 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.4 t80 48.6 65.22 1.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.859 0.361 . . . . 0.0 111.71 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.495 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 6.2 m-85 60.33 18.35 7.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.99 179.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 35' ' ' MET . 0.8 OUTLIER -111.94 132.26 54.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.771 0.319 . . . . 0.0 110.353 179.15 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.808 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -89.93 111.52 22.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.989 -179.475 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.05 163.83 17.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.603 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 m -104.53 -170.43 1.76 Allowed 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.917 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.232 -0.889 . . . . 1.0 111.071 179.963 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.808 0.337 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -177.36 107.36 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.805 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.53 -71.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.954 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.2 m 60.15 92.32 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 93.1 m -69.03 -12.68 61.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.363 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 39' ' ' CYS . 14.0 t -53.85 -47.07 64.14 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-O 120.859 0.361 . . . . 0.0 111.331 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -108.77 30.26 6.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 ttpp -131.27 -50.64 1.01 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 t -103.17 109.59 21.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.76 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -54.99 -179.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.292 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.445 ' HA ' ' CE2' ' A' ' 17' ' ' TYR . 2.4 t -160.97 173.22 15.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.628 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.4 -177.7 5.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.693 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.476 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 4.8 tttp -45.89 -45.59 15.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.724 0.297 . . . . 0.0 111.315 -179.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.424 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 172.17 161.97 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.965 179.577 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 109.72 -136.74 13.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.897 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.447 ' CZ ' ' HG3' ' A' ' 21' ' ' GLN . 3.3 t80 -98.05 136.84 37.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 0.0 111.05 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.447 ' CD2' ' HB2' ' A' ' 19' ' ' GLU . 2.3 t80 -143.24 110.36 5.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.591 179.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -50.39 -30.65 12.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.359 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.447 ' HB2' ' CD2' ' A' ' 17' ' ' TYR . 1.7 mt-10 -65.22 -52.21 56.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.787 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.0 t -60.13 -51.32 70.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.713 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.447 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 7.5 mm100 -53.0 -52.12 59.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.251 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 11.9 m-20 -55.5 -40.03 71.21 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.185 -179.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -64.49 -56.27 15.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.303 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.409 ' SG ' ' HB2' ' A' ' 29' ' ' HIS . 8.7 t -46.12 -61.67 1.67 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.579 -179.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -53.55 -44.17 69.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.181 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 1.0 OUTLIER -59.77 -27.75 66.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.018 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.23 -32.63 49.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.004 0.431 . . . . 0.0 110.637 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 131.46 38.15 0.28 Allowed Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.178 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.43 ' HB3' ' H ' ' A' ' 30' ' ' ASN . 55.6 m-70 -130.77 -153.57 0.57 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 -179.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.43 ' H ' ' HB3' ' A' ' 29' ' ' HIS . 3.0 m120 -120.68 -39.09 2.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.709 0.29 . . . . 0.0 111.059 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.77 -177.7 45.94 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.977 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -152.87 -161.37 10.24 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 t -144.45 155.91 43.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.995 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.3 t -97.48 128.84 44.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.695 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.498 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 5.5 mmm -137.09 97.83 3.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.679 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.419 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 85.9 t80 49.84 64.52 1.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.983 178.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.476 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 6.2 m-85 62.53 13.31 6.11 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 178.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 35' ' ' MET . 1.6 mttt -110.79 137.36 48.55 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 120.775 0.321 . . . . 0.0 110.212 179.182 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.473 ' O ' HG22 ' A' ' 6' ' ' VAL . 40.9 t -103.24 112.8 25.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.342 -179.204 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.9 tttm -118.95 161.44 20.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.306 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.9 m -102.34 -172.55 2.15 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 120.976 0.417 . . . . 0.0 110.941 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.213 -0.898 . . . . 0.0 111.133 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.5 t0 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.734 0.302 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 24.4 mtp180 56.92 103.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.989 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.13 -69.58 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.517 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 m 57.22 96.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.95 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 85.8 m -73.67 -16.82 61.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.224 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 39' ' ' CYS . 3.2 p -53.05 -46.68 54.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 121.043 0.449 . . . . 0.0 111.212 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.467 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 0.7 OUTLIER -94.81 -29.48 14.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.973 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.46 -56.35 5.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.988 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.9 t -95.57 144.52 25.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.971 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -92.59 166.46 12.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.846 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.478 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 2.0 t -144.53 169.26 18.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.95 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.43 -171.83 3.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.834 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.505 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 24.1 tttt -48.28 -49.38 33.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.399 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.441 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 176.12 164.25 0.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.947 0.403 . . . . 0.0 111.168 179.759 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.411 ' N ' ' HB3' ' A' ' 34' ' ' CYS . . . 106.11 -156.7 16.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.762 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -83.66 120.5 26.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.011 0.434 . . . . 0.0 111.359 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.478 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 5.4 t80 -123.92 97.96 5.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.985 179.034 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -40.73 -31.5 0.16 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.937 -179.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.73 -49.48 74.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.911 0.386 . . . . 0.0 110.73 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.09 -41.78 85.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.074 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -47.42 84.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.16 -38.93 93.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.73 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -59.13 -60.37 3.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.146 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.0 t -51.95 -59.24 4.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.34 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.77 -39.73 18.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.21 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.38 -24.68 61.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.037 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.49 -31.03 62.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.012 0.434 . . . . 0.0 110.783 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 133.56 35.03 0.29 Allowed Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.571 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -138.41 -150.56 0.34 Allowed 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 120.451 0.167 . . . . 0.0 110.677 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -107.3 -53.95 2.55 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.758 0.313 . . . . 0.0 111.036 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -168.73 -158.61 12.89 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.33 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -157.91 -174.5 27.7 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.656 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 t -133.62 161.9 33.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.91 0.386 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.411 ' HB3' ' N ' ' A' ' 15' ' ' GLY . 2.4 t -103.76 123.56 47.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.773 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.2 mmt -130.38 97.36 4.39 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.622 -179.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.433 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 89.5 t80 45.32 73.15 0.17 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.911 179.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.505 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 7.7 m-30 53.94 20.88 2.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.976 179.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.8 tttp -116.16 127.41 54.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.79 0.329 . . . . 0.0 110.285 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.578 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -89.85 113.8 25.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.194 -179.439 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.32 163.91 18.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.502 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.0 m -101.66 -171.54 2.0 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 120.9 0.381 . . . . 0.0 110.863 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.207 -0.901 . . . . 1.0 111.088 -179.954 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.828 0.347 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.67 113.82 0.05 Allowed 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 121.29 0.567 . . . . 0.0 110.795 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.53 -69.8 0.14 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.058 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.5 t 60.18 91.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 59.8 m -59.56 -25.29 64.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.659 HG22 ' O ' ' A' ' 39' ' ' CYS . 19.5 t -48.3 -29.19 2.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.528 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -114.14 -27.27 7.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.187 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -68.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.195 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -77.13 159.21 29.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.192 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -99.25 147.31 25.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.73 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.94 161.0 25.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.023 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.96 -174.93 4.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.43 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.461 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -48.07 -51.75 23.08 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.909 0.385 . . . . 0.0 111.257 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.417 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 177.16 148.52 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.966 179.501 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.77 -144.31 16.3 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.604 -0.807 . . . . 0.0 112.906 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.458 ' CD1' ' N ' ' A' ' 17' ' ' TYR . 8.9 t80 -91.33 152.66 20.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 111.203 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.458 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 1.7 t80 -161.25 113.43 1.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.609 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -53.51 -27.82 27.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.51 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -63.4 -65.39 0.69 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.94 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.8 t -52.49 -47.27 66.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.123 0.487 . . . . 0.0 110.638 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.454 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 6.5 mm100 -52.32 -55.7 19.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.232 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 1.2 m-20 -59.0 -39.0 80.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.209 -179.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -58.42 -57.43 12.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.043 0.449 . . . . 0.0 111.268 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.0 t -53.91 -62.48 1.63 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.681 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.2 ptmm? -47.51 -37.25 11.61 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.703 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 0.7 OUTLIER -75.93 -24.11 55.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.811 0.339 . . . . 0.0 111.043 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.0 -31.56 63.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 135.27 34.7 0.25 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.529 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -142.42 -150.84 0.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.521 0.2 . . . . 0.0 110.642 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -107.36 -51.78 2.86 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.734 0.302 . . . . 0.0 110.984 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 179.86 -152.22 10.72 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.447 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -175.88 -150.22 7.92 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.534 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 t -151.83 159.13 43.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.873 0.368 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.7 m -93.82 115.19 27.58 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.604 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.471 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 24.8 mtp -116.51 103.04 10.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.325 -179.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.422 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 79.7 t80 48.52 65.25 1.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.943 0.401 . . . . 0.0 111.882 179.15 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.461 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 8.5 m-85 60.53 17.55 7.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.283 178.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 35' ' ' MET . 2.7 tttm -115.45 142.22 47.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.713 0.292 . . . . 0.0 110.244 179.299 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.659 ' O ' HG22 ' A' ' 6' ' ' VAL . 53.0 t -101.2 97.99 8.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.868 0.366 . . . . 0.0 111.116 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -103.69 153.17 20.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.76 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.5 m -98.01 -172.21 2.32 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.967 0.413 . . . . 0.0 110.937 -179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.289 -0.863 . . . . 1.0 111.138 -179.971 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.724 0.297 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? -179.49 108.92 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.633 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.69 -78.75 0.22 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.752 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.1 t 56.57 72.03 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.98 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 81.4 m -64.62 -17.86 64.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.313 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 39' ' ' CYS . 15.7 t -50.97 -34.87 14.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.795 0.331 . . . . 0.0 111.391 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -124.66 34.01 5.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -134.54 -46.38 0.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.004 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.15 119.59 39.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.05 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 tpt85 -62.51 156.5 22.76 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.283 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.45 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 1.8 t -136.1 173.54 11.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.685 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.39 -174.77 4.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.593 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.475 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -50.79 -46.98 59.87 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.396 -179.713 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.49 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER 173.54 153.47 0.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.903 0.382 . . . . 0.0 111.121 179.926 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.94 -133.61 10.55 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.912 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.443 ' CZ ' ' HG3' ' A' ' 21' ' ' GLN . 4.2 t80 -102.36 134.27 45.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.872 0.367 . . . . 0.0 111.167 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.45 ' CD2' ' HA ' ' A' ' 11' ' ' CYS . 1.6 t80 -138.02 112.67 8.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.534 179.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.82 -35.93 34.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.683 -179.42 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.412 ' HB2' ' CD2' ' A' ' 17' ' ' TYR . 10.0 mt-10 -61.15 -57.19 13.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.18 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.4 t -55.0 -50.81 68.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.005 0.431 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.443 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 5.1 mm100 -52.33 -54.79 27.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.341 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -58.48 -38.95 78.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.19 -179.663 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.23 -58.86 6.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.365 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.8 t -53.31 -60.91 2.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.653 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 26' ' ' ASN . 4.6 ptmm? -47.97 -36.13 12.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.279 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.411 ' N ' ' HG3' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -74.73 -26.18 59.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.745 179.64 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.71 -33.15 70.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.647 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.33 -9.46 2.18 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.666 -0.778 . . . . 0.0 113.046 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 -96.47 -146.93 0.29 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.854 0.327 . . . . 0.0 110.771 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -112.67 -47.79 3.05 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.745 0.307 . . . . 0.0 111.28 -179.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.24 -155.92 14.17 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.373 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -168.87 -154.51 9.03 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.723 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 t -146.18 163.05 36.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 0.0 111.031 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.8 t -99.26 128.97 45.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.419 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 1.6 mtt -135.32 96.23 3.44 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.574 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.432 ' CD2' ' O ' ' A' ' 36' ' ' PHE . 91.6 t80 47.17 67.72 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.938 0.399 . . . . 0.0 111.695 179.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.475 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 5.1 m-85 59.42 18.89 7.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.069 179.222 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 35' ' ' MET . 1.7 mtpt -115.37 123.09 47.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.819 0.342 . . . . 0.0 110.265 179.079 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.492 ' O ' HG22 ' A' ' 6' ' ' VAL . 42.3 t -89.77 100.94 13.65 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 -179.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 40.2 tptt -105.47 157.74 17.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.528 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.0 m -101.34 -171.77 2.05 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 120.947 0.403 . . . . 0.0 110.978 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.333 -0.841 . . . . 0.0 111.134 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.816 0.341 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.57 32.63 5.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.596 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.8 OUTLIER -57.76 -44.14 85.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.008 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.459 ' HB3' HG23 ' A' ' 6' ' ' VAL . 0.4 OUTLIER 57.43 23.8 9.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.025 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 72.29 5.3 5.25 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.611 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.762 HG22 ' O ' ' A' ' 39' ' ' CYS . 6.2 t -71.82 -30.92 39.38 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 120.807 0.337 . . . . 0.0 111.1 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -123.12 31.19 6.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.66 -56.85 1.57 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.821 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 t -97.76 156.38 16.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.0 ttt180 -86.63 163.46 17.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.437 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 1.8 t -142.77 173.46 11.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.65 -178.37 5.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.81 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.486 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -51.43 -47.31 63.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.405 -179.792 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.468 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER 177.76 151.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.871 0.367 . . . . 0.0 110.98 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.57 -134.01 9.78 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.717 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -109.23 133.96 52.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.961 0.41 . . . . 0.0 111.106 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.451 ' CD2' ' HB2' ' A' ' 19' ' ' GLU . 1.9 t80 -132.98 108.88 9.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.471 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.527 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 0.9 OUTLIER -47.71 -30.46 3.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.599 -179.443 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.451 ' HB2' ' CD2' ' A' ' 17' ' ' TYR . 0.6 OUTLIER -65.91 -45.76 80.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.824 0.345 . . . . 0.0 110.819 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.8 t -67.63 -54.47 19.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.187 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.527 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -56.32 -31.47 63.74 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.859 0.362 . . . . 0.0 111.166 -179.885 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -70.31 -43.89 69.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -58.95 -56.41 22.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.163 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.8 t -54.79 -57.56 11.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.548 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.4 ' HG2' ' N ' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -51.1 -50.45 58.74 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.139 -179.637 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.4 ' N ' ' HG2' ' A' ' 25' ' ' LYS . 2.6 t-20 -62.78 -25.42 68.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.178 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.56 -33.23 64.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.776 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 138.43 34.28 0.18 Allowed Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.593 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 -139.76 -152.78 0.43 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.526 0.203 . . . . 0.0 110.593 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -105.07 -50.03 3.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.762 0.315 . . . . 0.0 111.015 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -179.33 -152.23 10.45 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.354 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -163.82 -168.92 26.59 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.569 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 t -133.48 159.62 39.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.38 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.6 t -104.91 127.31 52.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.806 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.409 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -132.79 98.77 4.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.46 -179.656 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.415 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 8.6 t80 49.74 61.77 2.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.957 0.408 . . . . 0.0 111.28 179.326 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.486 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 6.7 m-85 66.45 16.17 10.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.851 179.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 35' ' ' MET . 0.5 OUTLIER -105.02 139.08 40.23 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 179.145 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.762 ' O ' HG22 ' A' ' 6' ' ' VAL . 46.4 t -109.99 96.29 6.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.245 -179.519 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 ttpp -108.28 164.15 12.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.212 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.4 m -92.49 -173.0 3.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.984 0.421 . . . . 0.0 110.961 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.269 -0.872 . . . . 1.0 111.07 179.973 . . . . . . . . 0 0 . 1 stop_ save_